1-(1-ethyl-5-methyltriazol-4-yl)cyclopropan-1-amine

C8H14N4 — CID 84765123

IUPAC1-(1-ethyl-5-methyltriazol-4-yl)cyclopropan-1-amine
SMILESCCn1nnc(C2(N)CC2)c1C
InChIInChI=1S/C8H14N4/c1-3-12-6(2)7(10-11-12)8(9)4-5-8/h3-5,9H2,1-2H3
InChIKeyCBNTZVNLBRNIGK-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.55
Rot. Bonds2

About 1-(1-ethyl-5-methyltriazol-4-yl)cyclopropan-1-amine

1-(1-ethyl-5-methyltriazol-4-yl)cyclopropan-1-amine (PubChem CID 84765123) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 1-(1-ethyl-5-methyltriazol-4-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(1-ethyl-5-methyltriazol-4-yl)cyclopropan-1-amine
PubChem CID84765123
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name1-(1-ethyl-5-methyltriazol-4-yl)cyclopropan-1-amine
SMILESCCn1nnc(C2(N)CC2)c1C
InChIInChI=1S/C8H14N4/c1-3-12-6(2)7(10-11-12)8(9)4-5-8/h3-5,9H2,1-2H3
InChIKeyCBNTZVNLBRNIGK-UHFFFAOYSA-N
XLogP0.55
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-5-methyltriazol-4-yl)cyclopropan-1-amine?
The IUPAC name of 1-(1-ethyl-5-methyltriazol-4-yl)cyclopropan-1-amine (CID 84765123) is 1-(1-ethyl-5-methyltriazol-4-yl)cyclopropan-1-amine.
What is the SMILES notation for 1-(1-ethyl-5-methyltriazol-4-yl)cyclopropan-1-amine?
The canonical SMILES for 1-(1-ethyl-5-methyltriazol-4-yl)cyclopropan-1-amine is CCn1nnc(C2(N)CC2)c1C.
What is the InChIKey of 1-(1-ethyl-5-methyltriazol-4-yl)cyclopropan-1-amine?
The InChIKey is CBNTZVNLBRNIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-3-12-6(2)7(10-11-12)8(9)4-5-8/h3-5,9H2,1-2H3.
What are the key properties of 1-(1-ethyl-5-methyltriazol-4-yl)cyclopropan-1-amine?
1-(1-ethyl-5-methyltriazol-4-yl)cyclopropan-1-amine has a molecular weight of 166.23 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-5-methyltriazol-4-yl)cyclopropan-1-amine is sourced from PubChem (CID 84765123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).