1-[2-(3-methylbenzotriazol-5-yl)ethyl]cyclopropan-1-amine

C12H16N4 — CID 105470224

IUPAC1-[2-(3-methylbenzotriazol-5-yl)ethyl]cyclopropan-1-amine
SMILESCn1nnc2ccc(CCC3(N)CC3)cc21
InChIInChI=1S/C12H16N4/c1-16-11-8-9(2-3-10(11)14-15-16)4-5-12(13)6-7-12/h2-3,8H,4-7,13H2,1H3
InChIKeyCJCCIUZFZGVGBI-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.39
Rot. Bonds3

About 1-[2-(3-methylbenzotriazol-5-yl)ethyl]cyclopropan-1-amine

1-[2-(3-methylbenzotriazol-5-yl)ethyl]cyclopropan-1-amine (PubChem CID 105470224) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 1-[2-(3-methylbenzotriazol-5-yl)ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(3-methylbenzotriazol-5-yl)ethyl]cyclopropan-1-amine
PubChem CID105470224
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name1-[2-(3-methylbenzotriazol-5-yl)ethyl]cyclopropan-1-amine
SMILESCn1nnc2ccc(CCC3(N)CC3)cc21
InChIInChI=1S/C12H16N4/c1-16-11-8-9(2-3-10(11)14-15-16)4-5-12(13)6-7-12/h2-3,8H,4-7,13H2,1H3
InChIKeyCJCCIUZFZGVGBI-UHFFFAOYSA-N
XLogP1.39
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylbenzotriazol-5-yl)ethyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(3-methylbenzotriazol-5-yl)ethyl]cyclopropan-1-amine (CID 105470224) is 1-[2-(3-methylbenzotriazol-5-yl)ethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(3-methylbenzotriazol-5-yl)ethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(3-methylbenzotriazol-5-yl)ethyl]cyclopropan-1-amine is Cn1nnc2ccc(CCC3(N)CC3)cc21.
What is the InChIKey of 1-[2-(3-methylbenzotriazol-5-yl)ethyl]cyclopropan-1-amine?
The InChIKey is CJCCIUZFZGVGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-16-11-8-9(2-3-10(11)14-15-16)4-5-12(13)6-7-12/h2-3,8H,4-7,13H2,1H3.
What are the key properties of 1-[2-(3-methylbenzotriazol-5-yl)ethyl]cyclopropan-1-amine?
1-[2-(3-methylbenzotriazol-5-yl)ethyl]cyclopropan-1-amine has a molecular weight of 216.29 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylbenzotriazol-5-yl)ethyl]cyclopropan-1-amine is sourced from PubChem (CID 105470224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).