5-(1-ethylcyclopentyl)-N,4-dimethyl-1,2,4-triazol-3-amine

C11H20N4 — CID 112596499

IUPAC5-(1-ethylcyclopentyl)-N,4-dimethyl-1,2,4-triazol-3-amine
SMILESCCC1(c2nnc(NC)n2C)CCCC1
InChIInChI=1S/C11H20N4/c1-4-11(7-5-6-8-11)9-13-14-10(12-2)15(9)3/h4-8H2,1-3H3,(H,12,14)
InChIKeyIOURDPBWUGMDRB-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.08
Rot. Bonds3

About 5-(1-ethylcyclopentyl)-N,4-dimethyl-1,2,4-triazol-3-amine

5-(1-ethylcyclopentyl)-N,4-dimethyl-1,2,4-triazol-3-amine (PubChem CID 112596499) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 5-(1-ethylcyclopentyl)-N,4-dimethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(1-ethylcyclopentyl)-N,4-dimethyl-1,2,4-triazol-3-amine
PubChem CID112596499
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name5-(1-ethylcyclopentyl)-N,4-dimethyl-1,2,4-triazol-3-amine
SMILESCCC1(c2nnc(NC)n2C)CCCC1
InChIInChI=1S/C11H20N4/c1-4-11(7-5-6-8-11)9-13-14-10(12-2)15(9)3/h4-8H2,1-3H3,(H,12,14)
InChIKeyIOURDPBWUGMDRB-UHFFFAOYSA-N
XLogP2.08
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylcyclopentyl)-N,4-dimethyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(1-ethylcyclopentyl)-N,4-dimethyl-1,2,4-triazol-3-amine (CID 112596499) is 5-(1-ethylcyclopentyl)-N,4-dimethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(1-ethylcyclopentyl)-N,4-dimethyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(1-ethylcyclopentyl)-N,4-dimethyl-1,2,4-triazol-3-amine is CCC1(c2nnc(NC)n2C)CCCC1.
What is the InChIKey of 5-(1-ethylcyclopentyl)-N,4-dimethyl-1,2,4-triazol-3-amine?
The InChIKey is IOURDPBWUGMDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-4-11(7-5-6-8-11)9-13-14-10(12-2)15(9)3/h4-8H2,1-3H3,(H,12,14).
What are the key properties of 5-(1-ethylcyclopentyl)-N,4-dimethyl-1,2,4-triazol-3-amine?
5-(1-ethylcyclopentyl)-N,4-dimethyl-1,2,4-triazol-3-amine has a molecular weight of 208.31 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylcyclopentyl)-N,4-dimethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 112596499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).