trans-(1R,3R)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclopentane-1-carbonitrile

C10H12ClN5 — CID 171763552

IUPACtrans-(1R,3R)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclopentane-1-carbonitrile
SMILESCc1nc(N[C@@H]2CC[C@@H](C#N)C2)nnc1Cl
InChIInChI=1S/C10H12ClN5/c1-6-9(11)15-16-10(13-6)14-8-3-2-7(4-8)5-12/h7-8H,2-4H2,1H3,(H,13,14,16)/t7-,8-/m1/s1
InChIKeyORTVYAOBORPOJM-HTQZYQBOSA-N
MW237.69 g/mol
LogP1.94
Rot. Bonds2

About trans-(1R,3R)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclopentane-1-carbonitrile

trans-(1R,3R)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclopentane-1-carbonitrile (PubChem CID 171763552) has the molecular formula C10H12ClN5 and a molecular weight of 237.69 g/mol. Its IUPAC name is trans-(1R,3R)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Nametrans-(1R,3R)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclopentane-1-carbonitrile
PubChem CID171763552
Molecular FormulaC10H12ClN5
Molecular Weight237.69 g/mol
Exact Mass237.08
IUPAC Nametrans-(1R,3R)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclopentane-1-carbonitrile
SMILESCc1nc(N[C@@H]2CC[C@@H](C#N)C2)nnc1Cl
InChIInChI=1S/C10H12ClN5/c1-6-9(11)15-16-10(13-6)14-8-3-2-7(4-8)5-12/h7-8H,2-4H2,1H3,(H,13,14,16)/t7-,8-/m1/s1
InChIKeyORTVYAOBORPOJM-HTQZYQBOSA-N
XLogP1.94
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze trans-(1R,3R)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclopentane-1-carbonitrile with MolForge

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Related Compounds

3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-methylcyclobutan-1-ol
CID 166152999
6-chloro-5-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]-1,2,4-triazin-3-amine
CID 176918022
(3S,5R)-5-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]piperidin-3-ol
CID 166153016
6-chloro-N-(5-fluoro-1-methylpiperidin-3-yl)-5-methyl-1,2,4-triazin-3-amine
CID 166152988
6-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]spiro[3.3]heptan-2-ol
CID 171763533
N-(1-tert-butylpiperidin-3-yl)-6-chloro-5-methyl-1,2,4-triazin-3-amine
CID 166152965
3-N-(5,6-dimethyl-1,2,4-triazin-3-yl)cyclopentane-1,3-diamine
CID 171756439
(3S,4S)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-ethylpiperidin-4-ol
CID 176918028
3-(methoxyamino)cyclopentane-1-carbonitrile
CID 126997428
3-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carbonitrile
CID 118659313
methyl 3-[(3R)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]piperidin-1-yl]propanoate
CID 171787610
3-(pyridin-3-ylamino)cyclopentane-1-carbonitrile
CID 130678810

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclopentane-1-carbonitrile?
The IUPAC name of trans-(1R,3R)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclopentane-1-carbonitrile (CID 171763552) is trans-(1R,3R)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclopentane-1-carbonitrile.
What is the SMILES notation for trans-(1R,3R)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclopentane-1-carbonitrile?
The canonical SMILES for trans-(1R,3R)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclopentane-1-carbonitrile is Cc1nc(N[C@@H]2CC[C@@H](C#N)C2)nnc1Cl.
What is the InChIKey of trans-(1R,3R)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclopentane-1-carbonitrile?
The InChIKey is ORTVYAOBORPOJM-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H12ClN5/c1-6-9(11)15-16-10(13-6)14-8-3-2-7(4-8)5-12/h7-8H,2-4H2,1H3,(H,13,14,16)/t7-,8-/m1/s1.
What are the key properties of trans-(1R,3R)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclopentane-1-carbonitrile?
trans-(1R,3R)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclopentane-1-carbonitrile has a molecular weight of 237.69 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 171763552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).