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

C19H24N8 — CID 175887712

IUPACtrans-(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
SMILESCCc1cnc(N[C@H]2CC[C@H](Nc3ccc(N4C=CC=CN4)cn3)C2)nn1
InChIInChI=1S/C19H24N8/c1-2-14-12-21-19(26-25-14)24-16-6-5-15(11-16)23-18-8-7-17(13-20-18)27-10-4-3-9-22-27/h3-4,7-10,12-13,15-16,22H,2,5-6,11H2,1H3,(H,20,23)(H,21,24,26)/t15-,16-/m0/s1
InChIKeyOMHYEXUWFRQEDQ-HOTGVXAUSA-N
MW364.46 g/mol
LogP2.63
Rot. Bonds6

About 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

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 (PubChem CID 175887712) has the molecular formula C19H24N8 and a molecular weight of 364.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametrans-(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
PubChem CID175887712
Molecular FormulaC19H24N8
Molecular Weight364.46 g/mol
Exact Mass364.21
IUPAC Nametrans-(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
SMILESCCc1cnc(N[C@H]2CC[C@H](Nc3ccc(N4C=CC=CN4)cn3)C2)nn1
InChIInChI=1S/C19H24N8/c1-2-14-12-21-19(26-25-14)24-16-6-5-15(11-16)23-18-8-7-17(13-20-18)27-10-4-3-9-22-27/h3-4,7-10,12-13,15-16,22H,2,5-6,11H2,1H3,(H,20,23)(H,21,24,26)/t15-,16-/m0/s1
InChIKeyOMHYEXUWFRQEDQ-HOTGVXAUSA-N
XLogP2.63
TPSA90.89 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1cnc(N[C@H]2CC[C@H](Nc3ccc(N4C=CC=CN4)cn3)C2)nn1.
What is the InChIKey of 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?
The InChIKey is OMHYEXUWFRQEDQ-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H24N8/c1-2-14-12-21-19(26-25-14)24-16-6-5-15(11-16)23-18-8-7-17(13-20-18)27-10-4-3-9-22-27/h3-4,7-10,12-13,15-16,22H,2,5-6,11H2,1H3,(H,20,23)(H,21,24,26)/t15-,16-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 364.46 g/mol, XLogP of 2.63, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 175887712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).