3-methyl-4,5,6,7-tetrahydrobenzotriazol-5-amine

C7H12N4 — CID 82417064

IUPAC3-methyl-4,5,6,7-tetrahydrobenzotriazol-5-amine
SMILESCn1nnc2c1CC(N)CC2
InChIInChI=1S/C7H12N4/c1-11-7-4-5(8)2-3-6(7)9-10-11/h5H,2-4,8H2,1H3
InChIKeyKNGLSUWCXOCEKZ-UHFFFAOYSA-N
MW152.20 g/mol
LogP-0.37
Rot. Bonds

About 3-methyl-4,5,6,7-tetrahydrobenzotriazol-5-amine

3-methyl-4,5,6,7-tetrahydrobenzotriazol-5-amine (PubChem CID 82417064) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 3-methyl-4,5,6,7-tetrahydrobenzotriazol-5-amine.

Molecular Properties

Compound Name3-methyl-4,5,6,7-tetrahydrobenzotriazol-5-amine
PubChem CID82417064
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name3-methyl-4,5,6,7-tetrahydrobenzotriazol-5-amine
SMILESCn1nnc2c1CC(N)CC2
InChIInChI=1S/C7H12N4/c1-11-7-4-5(8)2-3-6(7)9-10-11/h5H,2-4,8H2,1H3
InChIKeyKNGLSUWCXOCEKZ-UHFFFAOYSA-N
XLogP-0.37
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4,5,6,7-tetrahydrobenzotriazol-5-amine?
The IUPAC name of 3-methyl-4,5,6,7-tetrahydrobenzotriazol-5-amine (CID 82417064) is 3-methyl-4,5,6,7-tetrahydrobenzotriazol-5-amine.
What is the SMILES notation for 3-methyl-4,5,6,7-tetrahydrobenzotriazol-5-amine?
The canonical SMILES for 3-methyl-4,5,6,7-tetrahydrobenzotriazol-5-amine is Cn1nnc2c1CC(N)CC2.
What is the InChIKey of 3-methyl-4,5,6,7-tetrahydrobenzotriazol-5-amine?
The InChIKey is KNGLSUWCXOCEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c1-11-7-4-5(8)2-3-6(7)9-10-11/h5H,2-4,8H2,1H3.
What are the key properties of 3-methyl-4,5,6,7-tetrahydrobenzotriazol-5-amine?
3-methyl-4,5,6,7-tetrahydrobenzotriazol-5-amine has a molecular weight of 152.20 g/mol, XLogP of -0.37, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4,5,6,7-tetrahydrobenzotriazol-5-amine is sourced from PubChem (CID 82417064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).