1-pyridin-4-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine

C13H13N5 — CID 28711073

IUPAC1-pyridin-4-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
SMILESc1ccn2c(CNCc3ccncc3)nnc2c1
InChIInChI=1S/C13H13N5/c1-2-8-18-12(3-1)16-17-13(18)10-15-9-11-4-6-14-7-5-11/h1-8,15H,9-10H2
InChIKeyHTAUKYHOBMPDNH-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.41
Rot. Bonds4

About 1-pyridin-4-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine

1-pyridin-4-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine (PubChem CID 28711073) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-pyridin-4-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-pyridin-4-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
PubChem CID28711073
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name1-pyridin-4-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
SMILESc1ccn2c(CNCc3ccncc3)nnc2c1
InChIInChI=1S/C13H13N5/c1-2-8-18-12(3-1)16-17-13(18)10-15-9-11-4-6-14-7-5-11/h1-8,15H,9-10H2
InChIKeyHTAUKYHOBMPDNH-UHFFFAOYSA-N
XLogP1.41
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-bromophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 28711656
1-(6-methoxy-3-pyridinyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 114936363
2-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-1-amine
CID 28711089
N-[(4-bromophenyl)methyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 27657524
1-pyrazolo[1,5-a]pyridin-3-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 63312006
3-methylsulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propan-1-amine
CID 28711709
1-(3-methylthiophen-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 28711077
1-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 66414837
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1-(1,2,5-trimethylpyrrol-3-yl)methanamine
CID 62472572
2,2-dimethyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propan-1-ol
CID 81414347
1-(1-tert-butyltriazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 103398634
methyl 5-[([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)methyl]furan-2-carboxylate
CID 43222515

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine?
The IUPAC name of 1-pyridin-4-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine (CID 28711073) is 1-pyridin-4-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine.
What is the SMILES notation for 1-pyridin-4-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine?
The canonical SMILES for 1-pyridin-4-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine is c1ccn2c(CNCc3ccncc3)nnc2c1.
What is the InChIKey of 1-pyridin-4-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine?
The InChIKey is HTAUKYHOBMPDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-2-8-18-12(3-1)16-17-13(18)10-15-9-11-4-6-14-7-5-11/h1-8,15H,9-10H2.
What are the key properties of 1-pyridin-4-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine?
1-pyridin-4-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine has a molecular weight of 239.28 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine is sourced from PubChem (CID 28711073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).