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

C8H14N6O2 — CID 83115177

IUPACN-[2-(dimethylcarbamoylamino)ethyl]-2H-triazole-4-carboxamide
SMILESCN(C)C(=O)NCCNC(=O)c1cn[nH]n1
InChIInChI=1S/C8H14N6O2/c1-14(2)8(16)10-4-3-9-7(15)6-5-11-13-12-6/h5H,3-4H2,1-2H3,(H,9,15)(H,10,16)(H,11,12,13)
InChIKeyWKFUFJYMYFHDGY-UHFFFAOYSA-N
MW226.24 g/mol
LogP-1.19
Rot. Bonds4

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

N-[2-(dimethylcarbamoylamino)ethyl]-2H-triazole-4-carboxamide (PubChem CID 83115177) has the molecular formula C8H14N6O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is N-[2-(dimethylcarbamoylamino)ethyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylcarbamoylamino)ethyl]-2H-triazole-4-carboxamide
PubChem CID83115177
Molecular FormulaC8H14N6O2
Molecular Weight226.24 g/mol
Exact Mass226.12
IUPAC NameN-[2-(dimethylcarbamoylamino)ethyl]-2H-triazole-4-carboxamide
SMILESCN(C)C(=O)NCCNC(=O)c1cn[nH]n1
InChIInChI=1S/C8H14N6O2/c1-14(2)8(16)10-4-3-9-7(15)6-5-11-13-12-6/h5H,3-4H2,1-2H3,(H,9,15)(H,10,16)(H,11,12,13)
InChIKeyWKFUFJYMYFHDGY-UHFFFAOYSA-N
XLogP-1.19
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-1.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylcarbamoylamino)ethyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[2-(dimethylcarbamoylamino)ethyl]-2H-triazole-4-carboxamide (CID 83115177) is N-[2-(dimethylcarbamoylamino)ethyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylcarbamoylamino)ethyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[2-(dimethylcarbamoylamino)ethyl]-2H-triazole-4-carboxamide is CN(C)C(=O)NCCNC(=O)c1cn[nH]n1.
What is the InChIKey of N-[2-(dimethylcarbamoylamino)ethyl]-2H-triazole-4-carboxamide?
The InChIKey is WKFUFJYMYFHDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6O2/c1-14(2)8(16)10-4-3-9-7(15)6-5-11-13-12-6/h5H,3-4H2,1-2H3,(H,9,15)(H,10,16)(H,11,12,13).
What are the key properties of N-[2-(dimethylcarbamoylamino)ethyl]-2H-triazole-4-carboxamide?
N-[2-(dimethylcarbamoylamino)ethyl]-2H-triazole-4-carboxamide has a molecular weight of 226.24 g/mol, XLogP of -1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylcarbamoylamino)ethyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 83115177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).