1-(3-cyclopropylbenzotriazol-5-yl)-N-methylmethanamine

C11H14N4 — CID 83881235

IUPAC1-(3-cyclopropylbenzotriazol-5-yl)-N-methylmethanamine
SMILESCNCc1ccc2nnn(C3CC3)c2c1
InChIInChI=1S/C11H14N4/c1-12-7-8-2-5-10-11(6-8)15(14-13-10)9-3-4-9/h2,5-6,9,12H,3-4,7H2,1H3
InChIKeyXUTRHYQUUZTGGX-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.49
Rot. Bonds3

About 1-(3-cyclopropylbenzotriazol-5-yl)-N-methylmethanamine

1-(3-cyclopropylbenzotriazol-5-yl)-N-methylmethanamine (PubChem CID 83881235) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-(3-cyclopropylbenzotriazol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-cyclopropylbenzotriazol-5-yl)-N-methylmethanamine
PubChem CID83881235
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name1-(3-cyclopropylbenzotriazol-5-yl)-N-methylmethanamine
SMILESCNCc1ccc2nnn(C3CC3)c2c1
InChIInChI=1S/C11H14N4/c1-12-7-8-2-5-10-11(6-8)15(14-13-10)9-3-4-9/h2,5-6,9,12H,3-4,7H2,1H3
InChIKeyXUTRHYQUUZTGGX-UHFFFAOYSA-N
XLogP1.49
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropylbenzotriazol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-cyclopropylbenzotriazol-5-yl)-N-methylmethanamine (CID 83881235) is 1-(3-cyclopropylbenzotriazol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-cyclopropylbenzotriazol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-cyclopropylbenzotriazol-5-yl)-N-methylmethanamine is CNCc1ccc2nnn(C3CC3)c2c1.
What is the InChIKey of 1-(3-cyclopropylbenzotriazol-5-yl)-N-methylmethanamine?
The InChIKey is XUTRHYQUUZTGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-12-7-8-2-5-10-11(6-8)15(14-13-10)9-3-4-9/h2,5-6,9,12H,3-4,7H2,1H3.
What are the key properties of 1-(3-cyclopropylbenzotriazol-5-yl)-N-methylmethanamine?
1-(3-cyclopropylbenzotriazol-5-yl)-N-methylmethanamine has a molecular weight of 202.26 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropylbenzotriazol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 83881235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).