trans-(1S,3S)-1-N-[5-(3-methyl-2-pyridinyl)-2-pyridinyl]-3-N-(6-methyl-1,2,4-triazin-3-yl)cyclopentane-1,3-diamine

C20H23N7 — CID 171101134

IUPACtrans-(1S,3S)-1-N-[5-(3-methyl-2-pyridinyl)-2-pyridinyl]-3-N-(6-methyl-1,2,4-triazin-3-yl)cyclopentane-1,3-diamine
SMILESCc1cnc(N[C@H]2CC[C@H](Nc3ccc(-c4ncccc4C)cn3)C2)nn1
InChIInChI=1S/C20H23N7/c1-13-4-3-9-21-19(13)15-5-8-18(22-12-15)24-16-6-7-17(10-16)25-20-23-11-14(2)26-27-20/h3-5,8-9,11-12,16-17H,6-7,10H2,1-2H3,(H,22,24)(H,23,25,27)/t16-,17-/m0/s1
InChIKeyYLRINEFQABHXAX-IRXDYDNUSA-N
MW361.45 g/mol
LogP3.39
Rot. Bonds5

About trans-(1S,3S)-1-N-[5-(3-methyl-2-pyridinyl)-2-pyridinyl]-3-N-(6-methyl-1,2,4-triazin-3-yl)cyclopentane-1,3-diamine

trans-(1S,3S)-1-N-[5-(3-methyl-2-pyridinyl)-2-pyridinyl]-3-N-(6-methyl-1,2,4-triazin-3-yl)cyclopentane-1,3-diamine (PubChem CID 171101134) has the molecular formula C20H23N7 and a molecular weight of 361.45 g/mol. Its IUPAC name is trans-(1S,3S)-1-N-[5-(3-methyl-2-pyridinyl)-2-pyridinyl]-3-N-(6-methyl-1,2,4-triazin-3-yl)cyclopentane-1,3-diamine.

Molecular Properties

Compound Nametrans-(1S,3S)-1-N-[5-(3-methyl-2-pyridinyl)-2-pyridinyl]-3-N-(6-methyl-1,2,4-triazin-3-yl)cyclopentane-1,3-diamine
PubChem CID171101134
Molecular FormulaC20H23N7
Molecular Weight361.45 g/mol
Exact Mass361.20
IUPAC Nametrans-(1S,3S)-1-N-[5-(3-methyl-2-pyridinyl)-2-pyridinyl]-3-N-(6-methyl-1,2,4-triazin-3-yl)cyclopentane-1,3-diamine
SMILESCc1cnc(N[C@H]2CC[C@H](Nc3ccc(-c4ncccc4C)cn3)C2)nn1
InChIInChI=1S/C20H23N7/c1-13-4-3-9-21-19(13)15-5-8-18(22-12-15)24-16-6-7-17(10-16)25-20-23-11-14(2)26-27-20/h3-5,8-9,11-12,16-17H,6-7,10H2,1-2H3,(H,22,24)(H,23,25,27)/t16-,17-/m0/s1
InChIKeyYLRINEFQABHXAX-IRXDYDNUSA-N
XLogP3.39
TPSA88.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze trans-(1S,3S)-1-N-[5-(3-methyl-2-pyridinyl)-2-pyridinyl]-3-N-(6-methyl-1,2,4-triazin-3-yl)cyclopentane-1,3-diamine with MolForge

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Related Compounds

1-methyl-5-[6-[[(1S,3S)-3-[(6-methyl-1,2,4-triazin-3-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyrrolo[3,2-c]pyridin-4-one
CID 177336126
trans-(1S,3S)-1-N-[5-(2,6-difluorophenyl)-2-pyridinyl]-3-N-(1H-imidazo[4,5-b]pyridin-2-yl)cyclopentane-1,3-diamine
CID 171767301
trans-(1S,3S)-3-N-(1H-imidazo[4,5-b]pyridin-2-yl)-1-N-[5-(2-methoxyphenyl)-2-pyridinyl]cyclopentane-1,3-diamine
CID 171767310
N-[[(3S)-3-[[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]amino]cyclopentyl]methyl]-6-methyl-1,2,4-triazin-3-amine
CID 175621949
trans-(1S,3S)-1-N-[5-(2-fluoro-6-methoxyphenyl)-2-pyridinyl]-3-N-(1H-imidazo[4,5-b]pyridin-2-yl)cyclopentane-1,3-diamine
CID 171767362
methyl 5-(3-methyl-2-pyridinyl)pyridine-2-carboxylate
CID 170546048
3-[6-[[(1S,3S)-3-[(5-chloropyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-1-methylpyrido[2,3-d]pyrimidine-2,4-dione
CID 177336201
lithium 3-[[(1S,3S)-3-[[5-(2-oxo-1-pyridinyl)-2-pyridinyl]amino]cyclopentyl]amino]-1,2,4-triazine-6-carboxylate
CID 171756462
trans-(1S,3S)-3-N-(1H-imidazo[4,5-b]pyridin-2-yl)-1-N-(5-iodo-2-pyridinyl)cyclopentane-1,3-diamine
CID 171801021
4-[[5-(2-methyl-3-pyridinyl)pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 163356170
trans-(1S,3S)-3-N-(6-ethyl-1,2,4-triazin-3-yl)-1-N-[5-(1H-pyridazin-2-yl)-2-pyridinyl]cyclopentane-1,3-diamine
CID 175887712
6-methyl-2-[6-[[(1S,3S)-3-[[6-(trifluoromethyl)-1,2,4-triazin-3-yl]amino]cyclopentyl]amino]-3-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 171512434

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-1-N-[5-(3-methyl-2-pyridinyl)-2-pyridinyl]-3-N-(6-methyl-1,2,4-triazin-3-yl)cyclopentane-1,3-diamine?
The IUPAC name of trans-(1S,3S)-1-N-[5-(3-methyl-2-pyridinyl)-2-pyridinyl]-3-N-(6-methyl-1,2,4-triazin-3-yl)cyclopentane-1,3-diamine (CID 171101134) is trans-(1S,3S)-1-N-[5-(3-methyl-2-pyridinyl)-2-pyridinyl]-3-N-(6-methyl-1,2,4-triazin-3-yl)cyclopentane-1,3-diamine.
What is the SMILES notation for trans-(1S,3S)-1-N-[5-(3-methyl-2-pyridinyl)-2-pyridinyl]-3-N-(6-methyl-1,2,4-triazin-3-yl)cyclopentane-1,3-diamine?
The canonical SMILES for trans-(1S,3S)-1-N-[5-(3-methyl-2-pyridinyl)-2-pyridinyl]-3-N-(6-methyl-1,2,4-triazin-3-yl)cyclopentane-1,3-diamine is Cc1cnc(N[C@H]2CC[C@H](Nc3ccc(-c4ncccc4C)cn3)C2)nn1.
What is the InChIKey of trans-(1S,3S)-1-N-[5-(3-methyl-2-pyridinyl)-2-pyridinyl]-3-N-(6-methyl-1,2,4-triazin-3-yl)cyclopentane-1,3-diamine?
The InChIKey is YLRINEFQABHXAX-IRXDYDNUSA-N. The full InChI is InChI=1S/C20H23N7/c1-13-4-3-9-21-19(13)15-5-8-18(22-12-15)24-16-6-7-17(10-16)25-20-23-11-14(2)26-27-20/h3-5,8-9,11-12,16-17H,6-7,10H2,1-2H3,(H,22,24)(H,23,25,27)/t16-,17-/m0/s1.
What are the key properties of trans-(1S,3S)-1-N-[5-(3-methyl-2-pyridinyl)-2-pyridinyl]-3-N-(6-methyl-1,2,4-triazin-3-yl)cyclopentane-1,3-diamine?
trans-(1S,3S)-1-N-[5-(3-methyl-2-pyridinyl)-2-pyridinyl]-3-N-(6-methyl-1,2,4-triazin-3-yl)cyclopentane-1,3-diamine has a molecular weight of 361.45 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-1-N-[5-(3-methyl-2-pyridinyl)-2-pyridinyl]-3-N-(6-methyl-1,2,4-triazin-3-yl)cyclopentane-1,3-diamine is sourced from PubChem (CID 171101134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).