1-(1,5-dimethyltriazol-4-yl)-N-methylmethanamine

C6H12N4 — CID 82594201

IUPAC1-(1,5-dimethyltriazol-4-yl)-N-methylmethanamine
SMILESCNCc1nnn(C)c1C
InChIInChI=1S/C6H12N4/c1-5-6(4-7-2)8-9-10(5)3/h7H,4H2,1-3H3
InChIKeyAKOKKEKDPXQBGB-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.16
Rot. Bonds2

About 1-(1,5-dimethyltriazol-4-yl)-N-methylmethanamine

1-(1,5-dimethyltriazol-4-yl)-N-methylmethanamine (PubChem CID 82594201) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is 1-(1,5-dimethyltriazol-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1,5-dimethyltriazol-4-yl)-N-methylmethanamine
PubChem CID82594201
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name1-(1,5-dimethyltriazol-4-yl)-N-methylmethanamine
SMILESCNCc1nnn(C)c1C
InChIInChI=1S/C6H12N4/c1-5-6(4-7-2)8-9-10(5)3/h7H,4H2,1-3H3
InChIKeyAKOKKEKDPXQBGB-UHFFFAOYSA-N
XLogP-0.16
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethyltriazol-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(1,5-dimethyltriazol-4-yl)-N-methylmethanamine (CID 82594201) is 1-(1,5-dimethyltriazol-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1,5-dimethyltriazol-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1,5-dimethyltriazol-4-yl)-N-methylmethanamine is CNCc1nnn(C)c1C.
What is the InChIKey of 1-(1,5-dimethyltriazol-4-yl)-N-methylmethanamine?
The InChIKey is AKOKKEKDPXQBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-5-6(4-7-2)8-9-10(5)3/h7H,4H2,1-3H3.
What are the key properties of 1-(1,5-dimethyltriazol-4-yl)-N-methylmethanamine?
1-(1,5-dimethyltriazol-4-yl)-N-methylmethanamine has a molecular weight of 140.19 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethyltriazol-4-yl)-N-methylmethanamine is sourced from PubChem (CID 82594201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).