1-(quinolin-8-ylmethyl)-1,2,4-triazol-3-amine

C12H11N5 — CID 54929663

IUPAC1-(quinolin-8-ylmethyl)-1,2,4-triazol-3-amine
SMILESNc1ncn(Cc2cccc3cccnc23)n1
InChIInChI=1S/C12H11N5/c13-12-15-8-17(16-12)7-10-4-1-3-9-5-2-6-14-11(9)10/h1-6,8H,7H2,(H2,13,16)
InChIKeyKMLGSJIMBLARFB-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.46
Rot. Bonds2

About 1-(quinolin-8-ylmethyl)-1,2,4-triazol-3-amine

1-(quinolin-8-ylmethyl)-1,2,4-triazol-3-amine (PubChem CID 54929663) has the molecular formula C12H11N5 and a molecular weight of 225.26 g/mol. Its IUPAC name is 1-(quinolin-8-ylmethyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-(quinolin-8-ylmethyl)-1,2,4-triazol-3-amine
PubChem CID54929663
Molecular FormulaC12H11N5
Molecular Weight225.26 g/mol
Exact Mass225.10
IUPAC Name1-(quinolin-8-ylmethyl)-1,2,4-triazol-3-amine
SMILESNc1ncn(Cc2cccc3cccnc23)n1
InChIInChI=1S/C12H11N5/c13-12-15-8-17(16-12)7-10-4-1-3-9-5-2-6-14-11(9)10/h1-6,8H,7H2,(H2,13,16)
InChIKeyKMLGSJIMBLARFB-UHFFFAOYSA-N
XLogP1.46
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(quinolin-8-ylmethyl)pyrazol-4-amine
CID 28774951
1-(quinolin-8-ylmethyl)pyrazole-3-carboxamide
CID 71259684
8-[(2,5-dimethylpyrrol-1-yl)methyl]quinoline
CID 81423655
5-methyl-1-(quinolin-8-ylmethyl)triazol-4-amine
CID 79542110
quinolin-8-ylmethanamine;hydrochloride
CID 50988699
methyl 5-amino-1-(quinolin-8-ylmethyl)imidazole-4-carboxylate
CID 103545848
1-(quinolin-8-ylmethyl)pyrrole-2,5-dione
CID 81428770
8-[(3,5-dimethylpyrazol-1-yl)methyl]quinoline
CID 60982843
aluminum quinolin-8-ylmethanol
CID 23124809
6-amino-1-(quinolin-8-ylmethyl)pyrimidine-2,4-dione
CID 81427905
3-(aminomethyl)-1-(quinolin-8-ylmethyl)pyridin-2-one
CID 107017504
4-(hydroxymethyl)-1-(quinolin-8-ylmethyl)piperidin-4-ol
CID 56760267

Frequently Asked Questions

What is the IUPAC name of 1-(quinolin-8-ylmethyl)-1,2,4-triazol-3-amine?
The IUPAC name of 1-(quinolin-8-ylmethyl)-1,2,4-triazol-3-amine (CID 54929663) is 1-(quinolin-8-ylmethyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-(quinolin-8-ylmethyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 1-(quinolin-8-ylmethyl)-1,2,4-triazol-3-amine is Nc1ncn(Cc2cccc3cccnc23)n1.
What is the InChIKey of 1-(quinolin-8-ylmethyl)-1,2,4-triazol-3-amine?
The InChIKey is KMLGSJIMBLARFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5/c13-12-15-8-17(16-12)7-10-4-1-3-9-5-2-6-14-11(9)10/h1-6,8H,7H2,(H2,13,16).
What are the key properties of 1-(quinolin-8-ylmethyl)-1,2,4-triazol-3-amine?
1-(quinolin-8-ylmethyl)-1,2,4-triazol-3-amine has a molecular weight of 225.26 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(quinolin-8-ylmethyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 54929663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).