2-(1-methyl-1,2,4-triazol-3-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine

C12H19N7 — CID 107077668

IUPAC2-(1-methyl-1,2,4-triazol-3-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine
SMILESCn1cnc(CCNCc2nnc3n2CCCC3)n1
InChIInChI=1S/C12H19N7/c1-18-9-14-10(17-18)5-6-13-8-12-16-15-11-4-2-3-7-19(11)12/h9,13H,2-8H2,1H3
InChIKeyNASFJBPFQFJIQZ-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.08
Rot. Bonds5

About 2-(1-methyl-1,2,4-triazol-3-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine

2-(1-methyl-1,2,4-triazol-3-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine (PubChem CID 107077668) has the molecular formula C12H19N7 and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-(1-methyl-1,2,4-triazol-3-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(1-methyl-1,2,4-triazol-3-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine
PubChem CID107077668
Molecular FormulaC12H19N7
Molecular Weight261.33 g/mol
Exact Mass261.17
IUPAC Name2-(1-methyl-1,2,4-triazol-3-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine
SMILESCn1cnc(CCNCc2nnc3n2CCCC3)n1
InChIInChI=1S/C12H19N7/c1-18-9-14-10(17-18)5-6-13-8-12-16-15-11-4-2-3-7-19(11)12/h9,13H,2-8H2,1H3
InChIKeyNASFJBPFQFJIQZ-UHFFFAOYSA-N
XLogP0.08
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(1-methyl-1,2,4-triazol-3-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine with MolForge

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Related Compounds

3-pyrrolidin-1-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propan-1-amine
CID 107077486
N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)hexan-1-amine
CID 107077543
2-(1-methylpiperidin-4-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine
CID 107077852
2-methylsulfinyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine
CID 107077805
N-ethyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 81055898
3-methylsulfonyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propan-1-amine
CID 107077255
2-phenoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine
CID 107077354
N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1-(1,3-thiazol-5-yl)methanamine
CID 103792668
1-(1-methylpiperidin-3-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 107077372
2-prop-2-ynylsulfanyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine
CID 106428788
N-methoxy-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine
CID 82654891
N-[[5-(4-methylphenyl)furan-2-yl]methyl]-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethanamine
CID 119111957

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-1,2,4-triazol-3-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine?
The IUPAC name of 2-(1-methyl-1,2,4-triazol-3-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine (CID 107077668) is 2-(1-methyl-1,2,4-triazol-3-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(1-methyl-1,2,4-triazol-3-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(1-methyl-1,2,4-triazol-3-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine is Cn1cnc(CCNCc2nnc3n2CCCC3)n1.
What is the InChIKey of 2-(1-methyl-1,2,4-triazol-3-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine?
The InChIKey is NASFJBPFQFJIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7/c1-18-9-14-10(17-18)5-6-13-8-12-16-15-11-4-2-3-7-19(11)12/h9,13H,2-8H2,1H3.
What are the key properties of 2-(1-methyl-1,2,4-triazol-3-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine?
2-(1-methyl-1,2,4-triazol-3-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine has a molecular weight of 261.33 g/mol, XLogP of 0.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-1,2,4-triazol-3-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine is sourced from PubChem (CID 107077668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).