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

C4H8N4 — CID 22367688

IUPACN,3-dimethyl-1,2,4-triazol-1-amine
SMILESCNn1cnc(C)n1
InChIInChI=1S/C4H8N4/c1-4-6-3-8(5-2)7-4/h3,5H,1-2H3
InChIKeyIQYFKBCXLYEKTG-UHFFFAOYSA-N
MW112.14 g/mol
LogP-0.24
Rot. Bonds1

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

N,3-dimethyl-1,2,4-triazol-1-amine (PubChem CID 22367688) 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-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-1,2,4-triazol-1-amine
PubChem CID22367688
Molecular FormulaC4H8N4
Molecular Weight112.14 g/mol
Exact Mass112.07
IUPAC NameN,3-dimethyl-1,2,4-triazol-1-amine
SMILESCNn1cnc(C)n1
InChIInChI=1S/C4H8N4/c1-4-6-3-8(5-2)7-4/h3,5H,1-2H3
InChIKeyIQYFKBCXLYEKTG-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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Related Compounds

1H-pyrazol-1-ylmethanol
CID 305560
dimethyl-1H-1,2,4-triazol-3-amine
CID 307976
3-Ethyl-1,2,4(1H)-triazole
CID 23891
3-Isopropyl-1H-1,2,4-triazole
CID 21547708
s-Triazole, 3-propyl-
CID 519726
(4-methyl-4H-1,2,4-triazol-3-yl)methanamine
CID 21744036
(1H-1,2,4-Triazol-3-yl)methanamine hydrochloride
CID 12278547
methyl[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]amine
CID 23005312
Iem 760
CID 193439
1,3-dimethyl-1H-1,2,4-triazol-5-amine
CID 307975
3-tert-butyl-1H-1,2,4-triazole
CID 15745252
(1-methyl-1H-1,2,4-triazol-3-yl)methanamine hydrochloride
CID 18314526

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1,2,4-triazol-1-amine?
The IUPAC name of N,3-dimethyl-1,2,4-triazol-1-amine (CID 22367688) is N,3-dimethyl-1,2,4-triazol-1-amine.
What is the SMILES notation for N,3-dimethyl-1,2,4-triazol-1-amine?
The canonical SMILES for N,3-dimethyl-1,2,4-triazol-1-amine is CNn1cnc(C)n1.
What is the InChIKey of N,3-dimethyl-1,2,4-triazol-1-amine?
The InChIKey is IQYFKBCXLYEKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4/c1-4-6-3-8(5-2)7-4/h3,5H,1-2H3.
What are the key properties of N,3-dimethyl-1,2,4-triazol-1-amine?
N,3-dimethyl-1,2,4-triazol-1-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-1-amine is sourced from PubChem (CID 22367688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).