1,5-dimethyltriazol-4-amine

C4H8N4 — CID 75355385

IUPAC1,5-dimethyltriazol-4-amine
SMILESCc1c(N)nnn1C
InChIInChI=1S/C4H8N4/c1-3-4(5)6-7-8(3)2/h5H2,1-2H3
InChIKeyBTCAMNSYQXGQEQ-UHFFFAOYSA-N
MW112.14 g/mol
LogP-0.29
Rot. Bonds

About 1,5-dimethyltriazol-4-amine

1,5-dimethyltriazol-4-amine (PubChem CID 75355385) has the molecular formula C4H8N4 and a molecular weight of 112.14 g/mol. Its IUPAC name is 1,5-dimethyltriazol-4-amine.

Molecular Properties

Compound Name1,5-dimethyltriazol-4-amine
PubChem CID75355385
Molecular FormulaC4H8N4
Molecular Weight112.14 g/mol
Exact Mass112.07
IUPAC Name1,5-dimethyltriazol-4-amine
SMILESCc1c(N)nnn1C
InChIInChI=1S/C4H8N4/c1-3-4(5)6-7-8(3)2/h5H2,1-2H3
InChIKeyBTCAMNSYQXGQEQ-UHFFFAOYSA-N
XLogP-0.29
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.14
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyltriazol-4-amine?
The IUPAC name of 1,5-dimethyltriazol-4-amine (CID 75355385) is 1,5-dimethyltriazol-4-amine.
What is the SMILES notation for 1,5-dimethyltriazol-4-amine?
The canonical SMILES for 1,5-dimethyltriazol-4-amine is Cc1c(N)nnn1C.
What is the InChIKey of 1,5-dimethyltriazol-4-amine?
The InChIKey is BTCAMNSYQXGQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4/c1-3-4(5)6-7-8(3)2/h5H2,1-2H3.
What are the key properties of 1,5-dimethyltriazol-4-amine?
1,5-dimethyltriazol-4-amine has a molecular weight of 112.14 g/mol, XLogP of -0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyltriazol-4-amine is sourced from PubChem (CID 75355385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).