N,N-dimethyl-1-(2H-triazol-4-yl)methanamine

C5H10N4 — CID 54206485

IUPACN,N-dimethyl-1-(2H-triazol-4-yl)methanamine
SMILESCN(C)Cc1cn[nH]n1
InChIInChI=1S/C5H10N4/c1-9(2)4-5-3-6-8-7-5/h3H,4H2,1-2H3,(H,6,7,8)
InChIKeySFONHZXROQHFMH-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.13
Rot. Bonds2

About N,N-dimethyl-1-(2H-triazol-4-yl)methanamine

N,N-dimethyl-1-(2H-triazol-4-yl)methanamine (PubChem CID 54206485) has the molecular formula C5H10N4 and a molecular weight of 126.16 g/mol. Its IUPAC name is N,N-dimethyl-1-(2H-triazol-4-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(2H-triazol-4-yl)methanamine
PubChem CID54206485
Molecular FormulaC5H10N4
Molecular Weight126.16 g/mol
Exact Mass126.09
IUPAC NameN,N-dimethyl-1-(2H-triazol-4-yl)methanamine
SMILESCN(C)Cc1cn[nH]n1
InChIInChI=1S/C5H10N4/c1-9(2)4-5-3-6-8-7-5/h3H,4H2,1-2H3,(H,6,7,8)
InChIKeySFONHZXROQHFMH-UHFFFAOYSA-N
XLogP-0.13
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2H-triazol-4-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(2H-triazol-4-yl)methanamine (CID 54206485) is N,N-dimethyl-1-(2H-triazol-4-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(2H-triazol-4-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(2H-triazol-4-yl)methanamine is CN(C)Cc1cn[nH]n1.
What is the InChIKey of N,N-dimethyl-1-(2H-triazol-4-yl)methanamine?
The InChIKey is SFONHZXROQHFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4/c1-9(2)4-5-3-6-8-7-5/h3H,4H2,1-2H3,(H,6,7,8).
What are the key properties of N,N-dimethyl-1-(2H-triazol-4-yl)methanamine?
N,N-dimethyl-1-(2H-triazol-4-yl)methanamine has a molecular weight of 126.16 g/mol, XLogP of -0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2H-triazol-4-yl)methanamine is sourced from PubChem (CID 54206485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).