1-(1-ethyl-5-methyltriazol-4-yl)cyclopropane-1-carbonitrile

C9H12N4 — CID 84767185

IUPAC1-(1-ethyl-5-methyltriazol-4-yl)cyclopropane-1-carbonitrile
SMILESCCn1nnc(C2(C#N)CC2)c1C
InChIInChI=1S/C9H12N4/c1-3-13-7(2)8(11-12-13)9(6-10)4-5-9/h3-5H2,1-2H3
InChIKeyNBEHYRQGRPOQAD-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.16
Rot. Bonds2

About 1-(1-ethyl-5-methyltriazol-4-yl)cyclopropane-1-carbonitrile

1-(1-ethyl-5-methyltriazol-4-yl)cyclopropane-1-carbonitrile (PubChem CID 84767185) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 1-(1-ethyl-5-methyltriazol-4-yl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(1-ethyl-5-methyltriazol-4-yl)cyclopropane-1-carbonitrile
PubChem CID84767185
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name1-(1-ethyl-5-methyltriazol-4-yl)cyclopropane-1-carbonitrile
SMILESCCn1nnc(C2(C#N)CC2)c1C
InChIInChI=1S/C9H12N4/c1-3-13-7(2)8(11-12-13)9(6-10)4-5-9/h3-5H2,1-2H3
InChIKeyNBEHYRQGRPOQAD-UHFFFAOYSA-N
XLogP1.16
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-5-methyltriazol-4-yl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(1-ethyl-5-methyltriazol-4-yl)cyclopropane-1-carbonitrile (CID 84767185) is 1-(1-ethyl-5-methyltriazol-4-yl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(1-ethyl-5-methyltriazol-4-yl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(1-ethyl-5-methyltriazol-4-yl)cyclopropane-1-carbonitrile is CCn1nnc(C2(C#N)CC2)c1C.
What is the InChIKey of 1-(1-ethyl-5-methyltriazol-4-yl)cyclopropane-1-carbonitrile?
The InChIKey is NBEHYRQGRPOQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-3-13-7(2)8(11-12-13)9(6-10)4-5-9/h3-5H2,1-2H3.
What are the key properties of 1-(1-ethyl-5-methyltriazol-4-yl)cyclopropane-1-carbonitrile?
1-(1-ethyl-5-methyltriazol-4-yl)cyclopropane-1-carbonitrile has a molecular weight of 176.22 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-5-methyltriazol-4-yl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 84767185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).