N-methyl-1-propyl-1,2,4-triazol-3-amine

C6H12N4 — CID 141302340

IUPACN-methyl-1-propyl-1,2,4-triazol-3-amine
SMILESCCCn1cnc(NC)n1
InChIInChI=1S/C6H12N4/c1-3-4-10-5-8-6(7-2)9-10/h5H,3-4H2,1-2H3,(H,7,9)
InChIKeyPSKZOFVOGLIRQU-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.73
Rot. Bonds3

About N-methyl-1-propyl-1,2,4-triazol-3-amine

N-methyl-1-propyl-1,2,4-triazol-3-amine (PubChem CID 141302340) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is N-methyl-1-propyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-methyl-1-propyl-1,2,4-triazol-3-amine
PubChem CID141302340
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC NameN-methyl-1-propyl-1,2,4-triazol-3-amine
SMILESCCCn1cnc(NC)n1
InChIInChI=1S/C6H12N4/c1-3-4-10-5-8-6(7-2)9-10/h5H,3-4H2,1-2H3,(H,7,9)
InChIKeyPSKZOFVOGLIRQU-UHFFFAOYSA-N
XLogP0.73
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1H-1,2,4-Triazole-1-ethanamine
CID 3039957
1H-1,2,4-Triazole-1-propanamine
CID 4379682
1H-1,2,4-Triazol-3-amine, 1-propyl-
CID 143566
1-pentyl-1H-1,2,4-triazole
CID 14267422
4-Ethyl-4H-1,2,4-triazol-3-amine
CID 142620
2-(1H-1,2,4-triazol-1-yl)ethan-1-amine hydrochloride
CID 50988733
1H-1,2,4-Triazol-3-amine, 1-ethyl-
CID 142619
5-Amino-1-[n-propylamino(thiocarbonyl)]-1H-1,2,4-triazole
CID 10773875
1-Butyl-1,2,4-triazole
CID 22460
1H-1,2,4-Triazol-5-amine, 1-propyl-
CID 143567
4H-1,2,4-Triazol-3-amine, 4-propyl-
CID 143568
1-(1H-1,2,4-triazol-1-yl)propan-2-amine
CID 6484104

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-propyl-1,2,4-triazol-3-amine?
The IUPAC name of N-methyl-1-propyl-1,2,4-triazol-3-amine (CID 141302340) is N-methyl-1-propyl-1,2,4-triazol-3-amine.
What is the SMILES notation for N-methyl-1-propyl-1,2,4-triazol-3-amine?
The canonical SMILES for N-methyl-1-propyl-1,2,4-triazol-3-amine is CCCn1cnc(NC)n1.
What is the InChIKey of N-methyl-1-propyl-1,2,4-triazol-3-amine?
The InChIKey is PSKZOFVOGLIRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-3-4-10-5-8-6(7-2)9-10/h5H,3-4H2,1-2H3,(H,7,9).
What are the key properties of N-methyl-1-propyl-1,2,4-triazol-3-amine?
N-methyl-1-propyl-1,2,4-triazol-3-amine has a molecular weight of 140.19 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-propyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 141302340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).