N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1-(1,2,5-trimethylpyrrol-3-yl)methanamine

C15H19N5 — CID 62472572

IUPACN-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1-(1,2,5-trimethylpyrrol-3-yl)methanamine
SMILESCc1cc(CNCc2nnc3ccccn23)c(C)n1C
InChIInChI=1S/C15H19N5/c1-11-8-13(12(2)19(11)3)9-16-10-15-18-17-14-6-4-5-7-20(14)15/h4-8,16H,9-10H2,1-3H3
InChIKeyQNTNJOUILWWRDD-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.97
Rot. Bonds4

About N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1-(1,2,5-trimethylpyrrol-3-yl)methanamine

N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1-(1,2,5-trimethylpyrrol-3-yl)methanamine (PubChem CID 62472572) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1-(1,2,5-trimethylpyrrol-3-yl)methanamine.

Molecular Properties

Compound NameN-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1-(1,2,5-trimethylpyrrol-3-yl)methanamine
PubChem CID62472572
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC NameN-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1-(1,2,5-trimethylpyrrol-3-yl)methanamine
SMILESCc1cc(CNCc2nnc3ccccn23)c(C)n1C
InChIInChI=1S/C15H19N5/c1-11-8-13(12(2)19(11)3)9-16-10-15-18-17-14-6-4-5-7-20(14)15/h4-8,16H,9-10H2,1-3H3
InChIKeyQNTNJOUILWWRDD-UHFFFAOYSA-N
XLogP1.97
TPSA47.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.97
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-pyrazolo[1,5-a]pyridin-3-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 63312006
1-(3-methylthiophen-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 28711077
1-pyridin-4-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 28711073
2-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-1-amine
CID 28711089
4,6-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrimidin-2-amine
CID 135106778
3-methylsulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propan-1-amine
CID 28711709
2,2-dimethyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propan-1-ol
CID 81414347
1-(1-propylbenzimidazol-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 119137523
1-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 66414837
1-(1-tert-butyltriazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 103398634
1-[(1S,6R)-2,6-dimethylcyclohex-2-en-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 99856169

Frequently Asked Questions

What is the IUPAC name of N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1-(1,2,5-trimethylpyrrol-3-yl)methanamine?
The IUPAC name of N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1-(1,2,5-trimethylpyrrol-3-yl)methanamine (CID 62472572) is N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1-(1,2,5-trimethylpyrrol-3-yl)methanamine.
What is the SMILES notation for N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1-(1,2,5-trimethylpyrrol-3-yl)methanamine?
The canonical SMILES for N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1-(1,2,5-trimethylpyrrol-3-yl)methanamine is Cc1cc(CNCc2nnc3ccccn23)c(C)n1C.
What is the InChIKey of N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1-(1,2,5-trimethylpyrrol-3-yl)methanamine?
The InChIKey is QNTNJOUILWWRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-11-8-13(12(2)19(11)3)9-16-10-15-18-17-14-6-4-5-7-20(14)15/h4-8,16H,9-10H2,1-3H3.
What are the key properties of N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1-(1,2,5-trimethylpyrrol-3-yl)methanamine?
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1-(1,2,5-trimethylpyrrol-3-yl)methanamine has a molecular weight of 269.35 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1-(1,2,5-trimethylpyrrol-3-yl)methanamine is sourced from PubChem (CID 62472572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).