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

C9H16N4 — CID 90025102

IUPACN,N,1-trimethyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-amine
SMILESCC(C)=Cc1nc(N(C)C)nn1C
InChIInChI=1S/C9H16N4/c1-7(2)6-8-10-9(12(3)4)11-13(8)5/h6H,1-5H3
InChIKeyBRBINUWQXCBLGC-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.30
Rot. Bonds2

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

N,N,1-trimethyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-amine (PubChem CID 90025102) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is N,N,1-trimethyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN,N,1-trimethyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-amine
PubChem CID90025102
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC NameN,N,1-trimethyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-amine
SMILESCC(C)=Cc1nc(N(C)C)nn1C
InChIInChI=1S/C9H16N4/c1-7(2)6-8-10-9(12(3)4)11-13(8)5/h6H,1-5H3
InChIKeyBRBINUWQXCBLGC-UHFFFAOYSA-N
XLogP1.30
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N,1-trimethyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-amine?
The IUPAC name of N,N,1-trimethyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-amine (CID 90025102) is N,N,1-trimethyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for N,N,1-trimethyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-amine?
The canonical SMILES for N,N,1-trimethyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-amine is CC(C)=Cc1nc(N(C)C)nn1C.
What is the InChIKey of N,N,1-trimethyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-amine?
The InChIKey is BRBINUWQXCBLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-7(2)6-8-10-9(12(3)4)11-13(8)5/h6H,1-5H3.
What are the key properties of N,N,1-trimethyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-amine?
N,N,1-trimethyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-amine has a molecular weight of 180.25 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1-trimethyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 90025102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).