(1-methylbenzotriazol-5-yl)methanamine;hydrochloride

C8H11ClN4 — CID 51341928

IUPAC(1-methylbenzotriazol-5-yl)methanamine;hydrochloride
SMILESCl.Cn1nnc2cc(CN)ccc21
InChIInChI=1S/C8H10N4.ClH/c1-12-8-3-2-6(5-9)4-7(8)10-11-12;/h2-4H,5,9H2,1H3;1H
InChIKeySECIJLYPZJIJNS-UHFFFAOYSA-N
MW198.66 g/mol
LogP0.85
Rot. Bonds1

About (1-methylbenzotriazol-5-yl)methanamine;hydrochloride

(1-methylbenzotriazol-5-yl)methanamine;hydrochloride (PubChem CID 51341928) has the molecular formula C8H11ClN4 and a molecular weight of 198.66 g/mol. Its IUPAC name is (1-methylbenzotriazol-5-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(1-methylbenzotriazol-5-yl)methanamine;hydrochloride
PubChem CID51341928
Molecular FormulaC8H11ClN4
Molecular Weight198.66 g/mol
Exact Mass198.07
IUPAC Name(1-methylbenzotriazol-5-yl)methanamine;hydrochloride
SMILESCl.Cn1nnc2cc(CN)ccc21
InChIInChI=1S/C8H10N4.ClH/c1-12-8-3-2-6(5-9)4-7(8)10-11-12;/h2-4H,5,9H2,1H3;1H
InChIKeySECIJLYPZJIJNS-UHFFFAOYSA-N
XLogP0.85
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.66
LogP ≤ 50.85
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;hydrochloride?
The IUPAC name of (1-methylbenzotriazol-5-yl)methanamine;hydrochloride (CID 51341928) is (1-methylbenzotriazol-5-yl)methanamine;hydrochloride.
What is the SMILES notation for (1-methylbenzotriazol-5-yl)methanamine;hydrochloride?
The canonical SMILES for (1-methylbenzotriazol-5-yl)methanamine;hydrochloride is Cl.Cn1nnc2cc(CN)ccc21.
What is the InChIKey of (1-methylbenzotriazol-5-yl)methanamine;hydrochloride?
The InChIKey is SECIJLYPZJIJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4.ClH/c1-12-8-3-2-6(5-9)4-7(8)10-11-12;/h2-4H,5,9H2,1H3;1H.
What are the key properties of (1-methylbenzotriazol-5-yl)methanamine;hydrochloride?
(1-methylbenzotriazol-5-yl)methanamine;hydrochloride has a molecular weight of 198.66 g/mol, XLogP of 0.85, 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;hydrochloride is sourced from PubChem (CID 51341928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).