(1-methylbenzotriazol-5-yl)methanamine

C8H10N4 — CID 2795420

IUPAC(1-methylbenzotriazol-5-yl)methanamine
SMILESCn1nnc2cc(CN)ccc21
InChIInChI=1S/C8H10N4/c1-12-8-3-2-6(5-9)4-7(8)10-11-12/h2-4H,5,9H2,1H3
InChIKeyQPFIBLSSLODPBG-UHFFFAOYSA-N
MW162.20 g/mol
LogP0.43
Rot. Bonds1

About (1-methylbenzotriazol-5-yl)methanamine

(1-methylbenzotriazol-5-yl)methanamine (PubChem CID 2795420) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is (1-methylbenzotriazol-5-yl)methanamine.

Molecular Properties

Compound Name(1-methylbenzotriazol-5-yl)methanamine
PubChem CID2795420
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name(1-methylbenzotriazol-5-yl)methanamine
SMILESCn1nnc2cc(CN)ccc21
InChIInChI=1S/C8H10N4/c1-12-8-3-2-6(5-9)4-7(8)10-11-12/h2-4H,5,9H2,1H3
InChIKeyQPFIBLSSLODPBG-UHFFFAOYSA-N
XLogP0.43
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methylbenzotriazol-5-yl)methanamine?
The IUPAC name of (1-methylbenzotriazol-5-yl)methanamine (CID 2795420) is (1-methylbenzotriazol-5-yl)methanamine.
What is the SMILES notation for (1-methylbenzotriazol-5-yl)methanamine?
The canonical SMILES for (1-methylbenzotriazol-5-yl)methanamine is Cn1nnc2cc(CN)ccc21.
What is the InChIKey of (1-methylbenzotriazol-5-yl)methanamine?
The InChIKey is QPFIBLSSLODPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c1-12-8-3-2-6(5-9)4-7(8)10-11-12/h2-4H,5,9H2,1H3.
What are the key properties of (1-methylbenzotriazol-5-yl)methanamine?
(1-methylbenzotriazol-5-yl)methanamine has a molecular weight of 162.20 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylbenzotriazol-5-yl)methanamine is sourced from PubChem (CID 2795420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).