N-[2-(dimethylamino)ethyl]-2H-triazole-4-carboxamide

C7H13N5O — CID 78968007

IUPACN-[2-(dimethylamino)ethyl]-2H-triazole-4-carboxamide
SMILESCN(C)CCNC(=O)c1cn[nH]n1
InChIInChI=1S/C7H13N5O/c1-12(2)4-3-8-7(13)6-5-9-11-10-6/h5H,3-4H2,1-2H3,(H,8,13)(H,9,10,11)
InChIKeyJVWFXBJSBUTVCR-UHFFFAOYSA-N
MW183.22 g/mol
LogP-0.90
Rot. Bonds4

About N-[2-(dimethylamino)ethyl]-2H-triazole-4-carboxamide

N-[2-(dimethylamino)ethyl]-2H-triazole-4-carboxamide (PubChem CID 78968007) has the molecular formula C7H13N5O and a molecular weight of 183.22 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2H-triazole-4-carboxamide
PubChem CID78968007
Molecular FormulaC7H13N5O
Molecular Weight183.22 g/mol
Exact Mass183.11
IUPAC NameN-[2-(dimethylamino)ethyl]-2H-triazole-4-carboxamide
SMILESCN(C)CCNC(=O)c1cn[nH]n1
InChIInChI=1S/C7H13N5O/c1-12(2)4-3-8-7(13)6-5-9-11-10-6/h5H,3-4H2,1-2H3,(H,8,13)(H,9,10,11)
InChIKeyJVWFXBJSBUTVCR-UHFFFAOYSA-N
XLogP-0.90
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.22
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2H-triazole-4-carboxamide (CID 78968007) is N-[2-(dimethylamino)ethyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2H-triazole-4-carboxamide is CN(C)CCNC(=O)c1cn[nH]n1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2H-triazole-4-carboxamide?
The InChIKey is JVWFXBJSBUTVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O/c1-12(2)4-3-8-7(13)6-5-9-11-10-6/h5H,3-4H2,1-2H3,(H,8,13)(H,9,10,11).
What are the key properties of N-[2-(dimethylamino)ethyl]-2H-triazole-4-carboxamide?
N-[2-(dimethylamino)ethyl]-2H-triazole-4-carboxamide has a molecular weight of 183.22 g/mol, XLogP of -0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 78968007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).