[4-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]methanamine

C9H11N5 — CID 82468722

IUPAC[4-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]methanamine
SMILESNCc1nncn1Cc1ccncc1
InChIInChI=1S/C9H11N5/c10-5-9-13-12-7-14(9)6-8-1-3-11-4-2-8/h1-4,7H,5-6,10H2
InChIKeyDJNRGRGWJCBWNC-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.18
Rot. Bonds3

About [4-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]methanamine

[4-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]methanamine (PubChem CID 82468722) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is [4-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[4-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]methanamine
PubChem CID82468722
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name[4-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]methanamine
SMILESNCc1nncn1Cc1ccncc1
InChIInChI=1S/C9H11N5/c10-5-9-13-12-7-14(9)6-8-1-3-11-4-2-8/h1-4,7H,5-6,10H2
InChIKeyDJNRGRGWJCBWNC-UHFFFAOYSA-N
XLogP0.18
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methanamine
CID 82468720
4-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine
CID 115394759
4-benzyl-3-(2-phenylethyl)-1,2,4-triazole
CID 141167274
[4-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]phenyl]methanamine
CID 82557868
[4-(3-methylbutyl)-1,2,4-triazol-3-yl]methanamine
CID 82468055
[1-(pyridin-4-ylmethyl)imidazol-4-yl]methanamine
CID 82468655
[1-(pyridin-4-ylmethyl)imidazol-4-yl]methanamine;hydrochloride
CID 131637694
4-[(4,5-dimethylimidazol-1-yl)methyl]pyridine
CID 115648480
4-[[2-[1-(pyridin-4-ylmethyl)imidazol-2-yl]imidazol-1-yl]methyl]pyridine
CID 122395602
[4-[2-(2-fluorophenyl)ethyl]-1,2,4-triazol-3-yl]methanamine
CID 82472571
4-[(2-ethylimidazol-1-yl)methyl]pyridine
CID 63810514
4-benzyl-3-chloro-1,2,4-triazole
CID 63384679

Frequently Asked Questions

What is the IUPAC name of [4-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [4-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]methanamine (CID 82468722) is [4-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [4-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [4-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]methanamine is NCc1nncn1Cc1ccncc1.
What is the InChIKey of [4-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]methanamine?
The InChIKey is DJNRGRGWJCBWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c10-5-9-13-12-7-14(9)6-8-1-3-11-4-2-8/h1-4,7H,5-6,10H2.
What are the key properties of [4-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]methanamine?
[4-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]methanamine has a molecular weight of 189.22 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 82468722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).