N-methyl-1-(4-methyl-1,2,4-triazol-3-yl)methanamine

C5H10N4 — CID 23005312

IUPACN-methyl-1-(4-methyl-1,2,4-triazol-3-yl)methanamine
SMILESCNCc1nncn1C
InChIInChI=1S/C5H10N4/c1-6-3-5-8-7-4-9(5)2/h4,6H,3H2,1-2H3
InChIKeyVXKNGTCDCIRERB-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.47
Rot. Bonds2

About N-methyl-1-(4-methyl-1,2,4-triazol-3-yl)methanamine

N-methyl-1-(4-methyl-1,2,4-triazol-3-yl)methanamine (PubChem CID 23005312) has the molecular formula C5H10N4 and a molecular weight of 126.16 g/mol. Its IUPAC name is N-methyl-1-(4-methyl-1,2,4-triazol-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methyl-1,2,4-triazol-3-yl)methanamine
PubChem CID23005312
Molecular FormulaC5H10N4
Molecular Weight126.16 g/mol
Exact Mass126.09
IUPAC NameN-methyl-1-(4-methyl-1,2,4-triazol-3-yl)methanamine
SMILESCNCc1nncn1C
InChIInChI=1S/C5H10N4/c1-6-3-5-8-7-4-9(5)2/h4,6H,3H2,1-2H3
InChIKeyVXKNGTCDCIRERB-UHFFFAOYSA-N
XLogP-0.47
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methyl-1,2,4-triazol-3-yl)methanamine?
The IUPAC name of N-methyl-1-(4-methyl-1,2,4-triazol-3-yl)methanamine (CID 23005312) is N-methyl-1-(4-methyl-1,2,4-triazol-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(4-methyl-1,2,4-triazol-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(4-methyl-1,2,4-triazol-3-yl)methanamine is CNCc1nncn1C.
What is the InChIKey of N-methyl-1-(4-methyl-1,2,4-triazol-3-yl)methanamine?
The InChIKey is VXKNGTCDCIRERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4/c1-6-3-5-8-7-4-9(5)2/h4,6H,3H2,1-2H3.
What are the key properties of N-methyl-1-(4-methyl-1,2,4-triazol-3-yl)methanamine?
N-methyl-1-(4-methyl-1,2,4-triazol-3-yl)methanamine has a molecular weight of 126.16 g/mol, XLogP of -0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methyl-1,2,4-triazol-3-yl)methanamine is sourced from PubChem (CID 23005312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).