N-(pyridin-4-ylmethyl)triazol-1-amine

C8H9N5 — CID 22211562

IUPACN-(pyridin-4-ylmethyl)triazol-1-amine
SMILESc1cc(CNn2ccnn2)ccn1
InChIInChI=1S/C8H9N5/c1-3-9-4-2-8(1)7-11-13-6-5-10-12-13/h1-6,11H,7H2
InChIKeyVEABNGCRKUKKSC-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.42
Rot. Bonds3

About N-(pyridin-4-ylmethyl)triazol-1-amine

N-(pyridin-4-ylmethyl)triazol-1-amine (PubChem CID 22211562) has the molecular formula C8H9N5 and a molecular weight of 175.19 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)triazol-1-amine.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)triazol-1-amine
PubChem CID22211562
Molecular FormulaC8H9N5
Molecular Weight175.19 g/mol
Exact Mass175.09
IUPAC NameN-(pyridin-4-ylmethyl)triazol-1-amine
SMILESc1cc(CNn2ccnn2)ccn1
InChIInChI=1S/C8H9N5/c1-3-9-4-2-8(1)7-11-13-6-5-10-12-13/h1-6,11H,7H2
InChIKeyVEABNGCRKUKKSC-UHFFFAOYSA-N
XLogP0.42
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(triazol-1-ylmethyl)pyridine
CID 91272686
4-[[3-(triazol-1-yl)azetidin-1-yl]methyl]pyridine
CID 121183800
N-phosphanyl-1-pyridin-4-ylmethanamine
CID 144767456
N,N'-bis(pyridin-4-ylmethyl)pentane-1,5-diamine
CID 101163000
O-(pyridin-4-ylmethylamino)hydroxylamine
CID 142271558
1,1-dimethyl-2-(pyridin-4-ylmethyl)hydrazine
CID 21117152
1-cyclopropyl-N-(pyridin-4-ylmethyl)methanamine;hydrochloride
CID 167733766
1-(4-bromophenyl)-N-(pyridin-4-ylmethyl)methanamine
CID 834417
molecular hydrogen;N-(pyridin-4-ylmethyl)ethanamine
CID 145190725
2-iodopropane;N-methyl-1-pyridin-4-ylmethanamine
CID 91308032
CID 174107142
CID 174107142
(2S)-3-methyl-N-(pyridin-4-ylmethyl)butan-2-amine
CID 28669868

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)triazol-1-amine?
The IUPAC name of N-(pyridin-4-ylmethyl)triazol-1-amine (CID 22211562) is N-(pyridin-4-ylmethyl)triazol-1-amine.
What is the SMILES notation for N-(pyridin-4-ylmethyl)triazol-1-amine?
The canonical SMILES for N-(pyridin-4-ylmethyl)triazol-1-amine is c1cc(CNn2ccnn2)ccn1.
What is the InChIKey of N-(pyridin-4-ylmethyl)triazol-1-amine?
The InChIKey is VEABNGCRKUKKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5/c1-3-9-4-2-8(1)7-11-13-6-5-10-12-13/h1-6,11H,7H2.
What are the key properties of N-(pyridin-4-ylmethyl)triazol-1-amine?
N-(pyridin-4-ylmethyl)triazol-1-amine has a molecular weight of 175.19 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethyl)triazol-1-amine is sourced from PubChem (CID 22211562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).