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

C13H14N4S — CID 28711077

IUPAC1-(3-methylthiophen-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
SMILESCc1ccsc1CNCc1nnc2ccccn12
InChIInChI=1S/C13H14N4S/c1-10-5-7-18-11(10)8-14-9-13-16-15-12-4-2-3-6-17(12)13/h2-7,14H,8-9H2,1H3
InChIKeyLOCHUYNOXXZRQW-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.39
Rot. Bonds4

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

1-(3-methylthiophen-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine (PubChem CID 28711077) has the molecular formula C13H14N4S and a molecular weight of 258.35 g/mol. Its IUPAC name is 1-(3-methylthiophen-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3-methylthiophen-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
PubChem CID28711077
Molecular FormulaC13H14N4S
Molecular Weight258.35 g/mol
Exact Mass258.09
IUPAC Name1-(3-methylthiophen-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
SMILESCc1ccsc1CNCc1nnc2ccccn12
InChIInChI=1S/C13H14N4S/c1-10-5-7-18-11(10)8-14-9-13-16-15-12-4-2-3-6-17(12)13/h2-7,14H,8-9H2,1H3
InChIKeyLOCHUYNOXXZRQW-UHFFFAOYSA-N
XLogP2.39
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1-(1,2,5-trimethylpyrrol-3-yl)methanamine
CID 62472572
2-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-1-amine
CID 28711089
1-(2-bromophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 28711656
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
4,6-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrimidin-2-amine
CID 135106778
1-(1-tert-butyltriazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 103398634
1-[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 75413114
1-[(1S,6R)-2,6-dimethylcyclohex-2-en-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 99856169
1-(6-methoxy-3-pyridinyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 114936363
N-(thiophen-2-ylmethyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 28656331
1-(1-propylbenzimidazol-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 119137523

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylthiophen-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine?
The IUPAC name of 1-(3-methylthiophen-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine (CID 28711077) is 1-(3-methylthiophen-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(3-methylthiophen-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine?
The canonical SMILES for 1-(3-methylthiophen-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine is Cc1ccsc1CNCc1nnc2ccccn12.
What is the InChIKey of 1-(3-methylthiophen-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine?
The InChIKey is LOCHUYNOXXZRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S/c1-10-5-7-18-11(10)8-14-9-13-16-15-12-4-2-3-6-17(12)13/h2-7,14H,8-9H2,1H3.
What are the key properties of 1-(3-methylthiophen-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine?
1-(3-methylthiophen-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine has a molecular weight of 258.35 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylthiophen-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine is sourced from PubChem (CID 28711077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).