3-[(2-methyltriazol-4-yl)methyl]pyridin-4-amine

C9H11N5 — CID 130592205

IUPAC3-[(2-methyltriazol-4-yl)methyl]pyridin-4-amine
SMILESCn1ncc(Cc2cnccc2N)n1
InChIInChI=1S/C9H11N5/c1-14-12-6-8(13-14)4-7-5-11-3-2-9(7)10/h2-3,5-6H,4H2,1H3,(H2,10,11)
InChIKeyICTMTALYXMNMGL-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.38
Rot. Bonds2

About 3-[(2-methyltriazol-4-yl)methyl]pyridin-4-amine

3-[(2-methyltriazol-4-yl)methyl]pyridin-4-amine (PubChem CID 130592205) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is 3-[(2-methyltriazol-4-yl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[(2-methyltriazol-4-yl)methyl]pyridin-4-amine
PubChem CID130592205
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name3-[(2-methyltriazol-4-yl)methyl]pyridin-4-amine
SMILESCn1ncc(Cc2cnccc2N)n1
InChIInChI=1S/C9H11N5/c1-14-12-6-8(13-14)4-7-5-11-3-2-9(7)10/h2-3,5-6H,4H2,1H3,(H2,10,11)
InChIKeyICTMTALYXMNMGL-UHFFFAOYSA-N
XLogP0.38
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-bromo-1-methylpyrazol-5-yl)methyl]pyridin-4-amine
CID 114663317
3-(bromomethyl)pyridin-4-amine
CID 18674607
3-[(2,3-difluoro-4-methylphenyl)methyl]pyridin-4-amine
CID 107514276
3-[(3-methoxypyrazin-2-yl)methyl]pyridin-4-amine
CID 104516357
3-[2-(methylamino)-2-(1-methylpyrazol-3-yl)ethyl]pyridin-4-amine
CID 65200104
3-(1H-pyrrol-2-ylmethyl)pyridin-4-amine
CID 130527583
3-(4-chloro-2-methylpentyl)pyridin-4-amine
CID 64721238
4-(4-amino-3-pyridinyl)butan-2-one
CID 64522504
3-(2-hydrazinyl-3-methylbutyl)pyridin-4-amine
CID 105199730
3-(2-chlorobutyl)pyridin-4-amine
CID 130480258
2-methyl-4-(methylsulfanylmethyl)triazole
CID 130658803
3-[(2-bromo-5-methoxyphenyl)methyl]pyridin-4-amine
CID 65325978

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyltriazol-4-yl)methyl]pyridin-4-amine?
The IUPAC name of 3-[(2-methyltriazol-4-yl)methyl]pyridin-4-amine (CID 130592205) is 3-[(2-methyltriazol-4-yl)methyl]pyridin-4-amine.
What is the SMILES notation for 3-[(2-methyltriazol-4-yl)methyl]pyridin-4-amine?
The canonical SMILES for 3-[(2-methyltriazol-4-yl)methyl]pyridin-4-amine is Cn1ncc(Cc2cnccc2N)n1.
What is the InChIKey of 3-[(2-methyltriazol-4-yl)methyl]pyridin-4-amine?
The InChIKey is ICTMTALYXMNMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-14-12-6-8(13-14)4-7-5-11-3-2-9(7)10/h2-3,5-6H,4H2,1H3,(H2,10,11).
What are the key properties of 3-[(2-methyltriazol-4-yl)methyl]pyridin-4-amine?
3-[(2-methyltriazol-4-yl)methyl]pyridin-4-amine has a molecular weight of 189.22 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyltriazol-4-yl)methyl]pyridin-4-amine is sourced from PubChem (CID 130592205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).