[4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]methanamine

C13H13N5 — CID 114324859

IUPAC[4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]methanamine
SMILESCc1ccn2c(-c3ccnc(CN)c3)nnc2c1
InChIInChI=1S/C13H13N5/c1-9-3-5-18-12(6-9)16-17-13(18)10-2-4-15-11(7-10)8-14/h2-7H,8,14H2,1H3
InChIKeyBINCNUUJLFCQCI-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.56
Rot. Bonds2

About [4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]methanamine

[4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]methanamine (PubChem CID 114324859) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is [4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]methanamine
PubChem CID114324859
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name[4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]methanamine
SMILESCc1ccn2c(-c3ccnc(CN)c3)nnc2c1
InChIInChI=1S/C13H13N5/c1-9-3-5-18-12(6-9)16-17-13(18)10-2-4-15-11(7-10)8-14/h2-7H,8,14H2,1H3
InChIKeyBINCNUUJLFCQCI-UHFFFAOYSA-N
XLogP1.56
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-2-pyridinyl]methanamine
CID 114324856
(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine
CID 55266770
2-bromo-5-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
CID 107813659
[4-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]methanamine
CID 114325434
2,6-dichloro-4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
CID 82830427
ethane;(4-methyl-2-pyridinyl)methanamine
CID 142030002
2-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 79002399
[4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-2-pyridinyl]methanamine
CID 114325438
5-[2-(aminomethyl)-4-pyridinyl]-N,4-diethyl-1,2,4-triazol-3-amine
CID 112597554
[4-(9H-[1,2,4]triazolo[3,4-f]purin-3-yl)-2-pyridinyl]methanamine
CID 136966172
3-(2,6-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 145469047
3-(5-bromothiophen-2-yl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117144382

Frequently Asked Questions

What is the IUPAC name of [4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]methanamine?
The IUPAC name of [4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]methanamine (CID 114324859) is [4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]methanamine.
What is the SMILES notation for [4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]methanamine?
The canonical SMILES for [4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]methanamine is Cc1ccn2c(-c3ccnc(CN)c3)nnc2c1.
What is the InChIKey of [4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]methanamine?
The InChIKey is BINCNUUJLFCQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-9-3-5-18-12(6-9)16-17-13(18)10-2-4-15-11(7-10)8-14/h2-7H,8,14H2,1H3.
What are the key properties of [4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]methanamine?
[4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]methanamine has a molecular weight of 239.28 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]methanamine is sourced from PubChem (CID 114324859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).