N-[1-(ethylamino)ethyl]-2H-triazole-4-carboxamide

C7H13N5O — CID 89086724

IUPACN-[1-(ethylamino)ethyl]-2H-triazole-4-carboxamide
SMILESCCNC(C)NC(=O)c1cn[nH]n1
InChIInChI=1S/C7H13N5O/c1-3-8-5(2)10-7(13)6-4-9-12-11-6/h4-5,8H,3H2,1-2H3,(H,10,13)(H,9,11,12)
InChIKeyHCKUDRXYYSNIJI-UHFFFAOYSA-N
MW183.22 g/mol
LogP-0.51
Rot. Bonds4

About N-[1-(ethylamino)ethyl]-2H-triazole-4-carboxamide

N-[1-(ethylamino)ethyl]-2H-triazole-4-carboxamide (PubChem CID 89086724) has the molecular formula C7H13N5O and a molecular weight of 183.22 g/mol. Its IUPAC name is N-[1-(ethylamino)ethyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(ethylamino)ethyl]-2H-triazole-4-carboxamide
PubChem CID89086724
Molecular FormulaC7H13N5O
Molecular Weight183.22 g/mol
Exact Mass183.11
IUPAC NameN-[1-(ethylamino)ethyl]-2H-triazole-4-carboxamide
SMILESCCNC(C)NC(=O)c1cn[nH]n1
InChIInChI=1S/C7H13N5O/c1-3-8-5(2)10-7(13)6-4-9-12-11-6/h4-5,8H,3H2,1-2H3,(H,10,13)(H,9,11,12)
InChIKeyHCKUDRXYYSNIJI-UHFFFAOYSA-N
XLogP-0.51
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.22
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(ethylamino)ethyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[1-(ethylamino)ethyl]-2H-triazole-4-carboxamide (CID 89086724) is N-[1-(ethylamino)ethyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[1-(ethylamino)ethyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[1-(ethylamino)ethyl]-2H-triazole-4-carboxamide is CCNC(C)NC(=O)c1cn[nH]n1.
What is the InChIKey of N-[1-(ethylamino)ethyl]-2H-triazole-4-carboxamide?
The InChIKey is HCKUDRXYYSNIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O/c1-3-8-5(2)10-7(13)6-4-9-12-11-6/h4-5,8H,3H2,1-2H3,(H,10,13)(H,9,11,12).
What are the key properties of N-[1-(ethylamino)ethyl]-2H-triazole-4-carboxamide?
N-[1-(ethylamino)ethyl]-2H-triazole-4-carboxamide has a molecular weight of 183.22 g/mol, XLogP of -0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(ethylamino)ethyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 89086724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).