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

C6H10N6O2 — CID 78995318

IUPACN-[2-(carbamoylamino)ethyl]-2H-triazole-4-carboxamide
SMILESNC(=O)NCCNC(=O)c1cn[nH]n1
InChIInChI=1S/C6H10N6O2/c7-6(14)9-2-1-8-5(13)4-3-10-12-11-4/h3H,1-2H2,(H,8,13)(H3,7,9,14)(H,10,11,12)
InChIKeyGYIKRQNQDGNNKV-UHFFFAOYSA-N
MW198.19 g/mol
LogP-1.80
Rot. Bonds4

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

N-[2-(carbamoylamino)ethyl]-2H-triazole-4-carboxamide (PubChem CID 78995318) has the molecular formula C6H10N6O2 and a molecular weight of 198.19 g/mol. Its IUPAC name is N-[2-(carbamoylamino)ethyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(carbamoylamino)ethyl]-2H-triazole-4-carboxamide
PubChem CID78995318
Molecular FormulaC6H10N6O2
Molecular Weight198.19 g/mol
Exact Mass198.09
IUPAC NameN-[2-(carbamoylamino)ethyl]-2H-triazole-4-carboxamide
SMILESNC(=O)NCCNC(=O)c1cn[nH]n1
InChIInChI=1S/C6H10N6O2/c7-6(14)9-2-1-8-5(13)4-3-10-12-11-4/h3H,1-2H2,(H,8,13)(H3,7,9,14)(H,10,11,12)
InChIKeyGYIKRQNQDGNNKV-UHFFFAOYSA-N
XLogP-1.80
TPSA125.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 5-1.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-2H-triazole-4-carboxamide
CID 54219715
2H-triazole-4-carbohydrazide
CID 50989778
N-(4-chlorobutyl)-2H-triazole-4-carboxamide
CID 106845435
N-(3-formamidopropyl)-2H-triazole-4-carboxamide
CID 110475421
N-[(E)-pent-3-enyl]-2H-triazole-4-carboxamide
CID 115628382
N-[4-(carbamoylamino)phenyl]-2H-triazole-4-carboxamide
CID 47338316
N-[2-(4-hydroxyphenyl)ethyl]-2H-triazole-4-carboxamide
CID 78969850
N-(2-pyrrolidin-1-ylethyl)-2H-triazole-4-carboxamide
CID 112732753
N-(2-chloroprop-2-enyl)-2H-triazole-4-carboxamide
CID 115636783
methyl 6-(2H-triazole-4-carbonylamino)hexanoate
CID 47336093
N-[2-(4-aminocyclohexyl)oxyethyl]-2H-triazole-4-carboxamide
CID 55251521
N-[2-(1,3-thiazol-4-yl)ethyl]-2H-triazole-4-carboxamide
CID 78954440

Frequently Asked Questions

What is the IUPAC name of N-[2-(carbamoylamino)ethyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[2-(carbamoylamino)ethyl]-2H-triazole-4-carboxamide (CID 78995318) is N-[2-(carbamoylamino)ethyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[2-(carbamoylamino)ethyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[2-(carbamoylamino)ethyl]-2H-triazole-4-carboxamide is NC(=O)NCCNC(=O)c1cn[nH]n1.
What is the InChIKey of N-[2-(carbamoylamino)ethyl]-2H-triazole-4-carboxamide?
The InChIKey is GYIKRQNQDGNNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N6O2/c7-6(14)9-2-1-8-5(13)4-3-10-12-11-4/h3H,1-2H2,(H,8,13)(H3,7,9,14)(H,10,11,12).
What are the key properties of N-[2-(carbamoylamino)ethyl]-2H-triazole-4-carboxamide?
N-[2-(carbamoylamino)ethyl]-2H-triazole-4-carboxamide has a molecular weight of 198.19 g/mol, XLogP of -1.80, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(carbamoylamino)ethyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 78995318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).