N-cyclopropyl-N,1-dimethyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-amine

C11H18N4 — CID 90025421

IUPACN-cyclopropyl-N,1-dimethyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-amine
SMILESCC(C)=Cc1nc(N(C)C2CC2)nn1C
InChIInChI=1S/C11H18N4/c1-8(2)7-10-12-11(13-15(10)4)14(3)9-5-6-9/h7,9H,5-6H2,1-4H3
InChIKeyIWWMZECLXQZCNN-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.84
Rot. Bonds3

About N-cyclopropyl-N,1-dimethyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-amine

N-cyclopropyl-N,1-dimethyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-amine (PubChem CID 90025421) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is N-cyclopropyl-N,1-dimethyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-cyclopropyl-N,1-dimethyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-amine
PubChem CID90025421
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC NameN-cyclopropyl-N,1-dimethyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-amine
SMILESCC(C)=Cc1nc(N(C)C2CC2)nn1C
InChIInChI=1S/C11H18N4/c1-8(2)7-10-12-11(13-15(10)4)14(3)9-5-6-9/h7,9H,5-6H2,1-4H3
InChIKeyIWWMZECLXQZCNN-UHFFFAOYSA-N
XLogP1.84
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N,1-dimethyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-amine?
The IUPAC name of N-cyclopropyl-N,1-dimethyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-amine (CID 90025421) is N-cyclopropyl-N,1-dimethyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for N-cyclopropyl-N,1-dimethyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-amine?
The canonical SMILES for N-cyclopropyl-N,1-dimethyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-amine is CC(C)=Cc1nc(N(C)C2CC2)nn1C.
What is the InChIKey of N-cyclopropyl-N,1-dimethyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-amine?
The InChIKey is IWWMZECLXQZCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-8(2)7-10-12-11(13-15(10)4)14(3)9-5-6-9/h7,9H,5-6H2,1-4H3.
What are the key properties of N-cyclopropyl-N,1-dimethyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-amine?
N-cyclopropyl-N,1-dimethyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-amine has a molecular weight of 206.29 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N,1-dimethyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 90025421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).