N-(cyclopropylmethyl)-1-methyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-amine

C11H18N4 — CID 118093208

IUPACN-(cyclopropylmethyl)-1-methyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-amine
SMILESCC(C)=Cc1nc(NCC2CC2)nn1C
InChIInChI=1S/C11H18N4/c1-8(2)6-10-13-11(14-15(10)3)12-7-9-4-5-9/h6,9H,4-5,7H2,1-3H3,(H,12,14)
InChIKeyXYQCGXVKHMAWKB-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.06
Rot. Bonds4

About N-(cyclopropylmethyl)-1-methyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-amine

N-(cyclopropylmethyl)-1-methyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-amine (PubChem CID 118093208) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-methyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-methyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-amine
PubChem CID118093208
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC NameN-(cyclopropylmethyl)-1-methyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-amine
SMILESCC(C)=Cc1nc(NCC2CC2)nn1C
InChIInChI=1S/C11H18N4/c1-8(2)6-10-13-11(14-15(10)3)12-7-9-4-5-9/h6,9H,4-5,7H2,1-3H3,(H,12,14)
InChIKeyXYQCGXVKHMAWKB-UHFFFAOYSA-N
XLogP2.06
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-methyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-amine?
The IUPAC name of N-(cyclopropylmethyl)-1-methyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-amine (CID 118093208) is N-(cyclopropylmethyl)-1-methyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-methyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-amine?
The canonical SMILES for N-(cyclopropylmethyl)-1-methyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-amine is CC(C)=Cc1nc(NCC2CC2)nn1C.
What is the InChIKey of N-(cyclopropylmethyl)-1-methyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-amine?
The InChIKey is XYQCGXVKHMAWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-8(2)6-10-13-11(14-15(10)3)12-7-9-4-5-9/h6,9H,4-5,7H2,1-3H3,(H,12,14).
What are the key properties of N-(cyclopropylmethyl)-1-methyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-amine?
N-(cyclopropylmethyl)-1-methyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-amine has a molecular weight of 206.29 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-methyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 118093208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).