N,N-dimethyl-1-(1-methyltriazol-4-yl)methanamine

C6H12N4 — CID 58602890

IUPACN,N-dimethyl-1-(1-methyltriazol-4-yl)methanamine
SMILESCN(C)Cc1cn(C)nn1
InChIInChI=1S/C6H12N4/c1-9(2)4-6-5-10(3)8-7-6/h5H,4H2,1-3H3
InChIKeyDINXILHEHGMPIM-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.12
Rot. Bonds2

About N,N-dimethyl-1-(1-methyltriazol-4-yl)methanamine

N,N-dimethyl-1-(1-methyltriazol-4-yl)methanamine (PubChem CID 58602890) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is N,N-dimethyl-1-(1-methyltriazol-4-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(1-methyltriazol-4-yl)methanamine
PubChem CID58602890
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC NameN,N-dimethyl-1-(1-methyltriazol-4-yl)methanamine
SMILESCN(C)Cc1cn(C)nn1
InChIInChI=1S/C6H12N4/c1-9(2)4-6-5-10(3)8-7-6/h5H,4H2,1-3H3
InChIKeyDINXILHEHGMPIM-UHFFFAOYSA-N
XLogP-0.12
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(1-methyltriazol-4-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(1-methyltriazol-4-yl)methanamine (CID 58602890) is N,N-dimethyl-1-(1-methyltriazol-4-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(1-methyltriazol-4-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(1-methyltriazol-4-yl)methanamine is CN(C)Cc1cn(C)nn1.
What is the InChIKey of N,N-dimethyl-1-(1-methyltriazol-4-yl)methanamine?
The InChIKey is DINXILHEHGMPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-9(2)4-6-5-10(3)8-7-6/h5H,4H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(1-methyltriazol-4-yl)methanamine?
N,N-dimethyl-1-(1-methyltriazol-4-yl)methanamine has a molecular weight of 140.19 g/mol, XLogP of -0.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(1-methyltriazol-4-yl)methanamine is sourced from PubChem (CID 58602890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).