N,3-dimethyl-1,2,4-triazol-4-amine

C4H8N4 — CID 139385925

IUPACN,3-dimethyl-1,2,4-triazol-4-amine
SMILESCNn1cnnc1C
InChIInChI=1S/C4H8N4/c1-4-7-6-3-8(4)5-2/h3,5H,1-2H3
InChIKeyANQLACYHWCRSOF-UHFFFAOYSA-N
MW112.14 g/mol
LogP-0.24
Rot. Bonds1

About N,3-dimethyl-1,2,4-triazol-4-amine

N,3-dimethyl-1,2,4-triazol-4-amine (PubChem CID 139385925) has the molecular formula C4H8N4 and a molecular weight of 112.14 g/mol. Its IUPAC name is N,3-dimethyl-1,2,4-triazol-4-amine.

Molecular Properties

Compound NameN,3-dimethyl-1,2,4-triazol-4-amine
PubChem CID139385925
Molecular FormulaC4H8N4
Molecular Weight112.14 g/mol
Exact Mass112.07
IUPAC NameN,3-dimethyl-1,2,4-triazol-4-amine
SMILESCNn1cnnc1C
InChIInChI=1S/C4H8N4/c1-4-7-6-3-8(4)5-2/h3,5H,1-2H3
InChIKeyANQLACYHWCRSOF-UHFFFAOYSA-N
XLogP-0.24
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.14
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1,2,4-triazol-4-amine?
The IUPAC name of N,3-dimethyl-1,2,4-triazol-4-amine (CID 139385925) is N,3-dimethyl-1,2,4-triazol-4-amine.
What is the SMILES notation for N,3-dimethyl-1,2,4-triazol-4-amine?
The canonical SMILES for N,3-dimethyl-1,2,4-triazol-4-amine is CNn1cnnc1C.
What is the InChIKey of N,3-dimethyl-1,2,4-triazol-4-amine?
The InChIKey is ANQLACYHWCRSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4/c1-4-7-6-3-8(4)5-2/h3,5H,1-2H3.
What are the key properties of N,3-dimethyl-1,2,4-triazol-4-amine?
N,3-dimethyl-1,2,4-triazol-4-amine has a molecular weight of 112.14 g/mol, XLogP of -0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1,2,4-triazol-4-amine is sourced from PubChem (CID 139385925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).