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

C8H13N5O2 — CID 112732760

IUPACN-[1-(ethylamino)-1-oxopropan-2-yl]-2H-triazole-4-carboxamide
SMILESCCNC(=O)C(C)NC(=O)c1cn[nH]n1
InChIInChI=1S/C8H13N5O2/c1-3-9-7(14)5(2)11-8(15)6-4-10-13-12-6/h4-5H,3H2,1-2H3,(H,9,14)(H,11,15)(H,10,12,13)
InChIKeyUTFNFLROPOZGJW-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.94
Rot. Bonds4

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

N-[1-(ethylamino)-1-oxopropan-2-yl]-2H-triazole-4-carboxamide (PubChem CID 112732760) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is N-[1-(ethylamino)-1-oxopropan-2-yl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(ethylamino)-1-oxopropan-2-yl]-2H-triazole-4-carboxamide
PubChem CID112732760
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC NameN-[1-(ethylamino)-1-oxopropan-2-yl]-2H-triazole-4-carboxamide
SMILESCCNC(=O)C(C)NC(=O)c1cn[nH]n1
InChIInChI=1S/C8H13N5O2/c1-3-9-7(14)5(2)11-8(15)6-4-10-13-12-6/h4-5H,3H2,1-2H3,(H,9,14)(H,11,15)(H,10,12,13)
InChIKeyUTFNFLROPOZGJW-UHFFFAOYSA-N
XLogP-0.94
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2H-triazole-4-carbonylamino)propanoic acid
CID 78929265
N-(1-amino-1-oxopropan-2-yl)-2H-triazole-4-carboxamide
CID 112732798
N-[1-(dimethylamino)-1-oxopropan-2-yl]-2H-triazole-4-carboxamide
CID 112733461
2-(2H-triazole-4-carbonylamino)hexanoic acid
CID 63283324
N-propyl-2H-triazole-4-carboxamide
CID 54219715
N-[5-(diethylamino)pentan-2-yl]-2H-triazole-4-carboxamide
CID 78968205
3,3-dimethyl-2-(2H-triazole-4-carbonylamino)butanoic acid
CID 63283279
N-(2-methoxypropyl)-2H-triazole-4-carboxamide
CID 102700159
N-[(1S)-1-(4-ethylsulfanylphenyl)ethyl]-2H-triazole-4-carboxamide
CID 95317065
5-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 8750450
2H-triazole-4-carbohydrazide
CID 50989778
N-[1-(4-ethoxyphenyl)ethyl]-2H-triazole-4-carboxamide
CID 112732846

Frequently Asked Questions

What is the IUPAC name of N-[1-(ethylamino)-1-oxopropan-2-yl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[1-(ethylamino)-1-oxopropan-2-yl]-2H-triazole-4-carboxamide (CID 112732760) is N-[1-(ethylamino)-1-oxopropan-2-yl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[1-(ethylamino)-1-oxopropan-2-yl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[1-(ethylamino)-1-oxopropan-2-yl]-2H-triazole-4-carboxamide is CCNC(=O)C(C)NC(=O)c1cn[nH]n1.
What is the InChIKey of N-[1-(ethylamino)-1-oxopropan-2-yl]-2H-triazole-4-carboxamide?
The InChIKey is UTFNFLROPOZGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c1-3-9-7(14)5(2)11-8(15)6-4-10-13-12-6/h4-5H,3H2,1-2H3,(H,9,14)(H,11,15)(H,10,12,13).
What are the key properties of N-[1-(ethylamino)-1-oxopropan-2-yl]-2H-triazole-4-carboxamide?
N-[1-(ethylamino)-1-oxopropan-2-yl]-2H-triazole-4-carboxamide has a molecular weight of 211.22 g/mol, XLogP of -0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(ethylamino)-1-oxopropan-2-yl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 112732760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).