N-cyclopentyl-N'-(1H-1,2,4-triazol-5-yl)oxamide

C9H13N5O2 — CID 108506010

IUPACN-cyclopentyl-N'-(1H-1,2,4-triazol-5-yl)oxamide
SMILESO=C(Nc1ncn[nH]1)C(=O)NC1CCCC1
InChIInChI=1S/C9H13N5O2/c15-7(12-6-3-1-2-4-6)8(16)13-9-10-5-11-14-9/h5-6H,1-4H2,(H,12,15)(H2,10,11,13,14,16)
InChIKeyDCCSTPZTOABRCG-UHFFFAOYSA-N
MW223.24 g/mol
LogP-0.20
Rot. Bonds2

About N-cyclopentyl-N'-(1H-1,2,4-triazol-5-yl)oxamide

N-cyclopentyl-N'-(1H-1,2,4-triazol-5-yl)oxamide (PubChem CID 108506010) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is N-cyclopentyl-N'-(1H-1,2,4-triazol-5-yl)oxamide.

Molecular Properties

Compound NameN-cyclopentyl-N'-(1H-1,2,4-triazol-5-yl)oxamide
PubChem CID108506010
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC NameN-cyclopentyl-N'-(1H-1,2,4-triazol-5-yl)oxamide
SMILESO=C(Nc1ncn[nH]1)C(=O)NC1CCCC1
InChIInChI=1S/C9H13N5O2/c15-7(12-6-3-1-2-4-6)8(16)13-9-10-5-11-14-9/h5-6H,1-4H2,(H,12,15)(H2,10,11,13,14,16)
InChIKeyDCCSTPZTOABRCG-UHFFFAOYSA-N
XLogP-0.20
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-cyano-N-cyclododecyl-3-(1H-1,2,4-triazol-5-ylamino)prop-2-enamide
CID 108862748
N-(1H-1,2,4-triazol-5-yl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide
CID 108526242
N'-(1-hydroxy-2-methylpropan-2-yl)-N-(1H-1,2,4-triazol-5-yl)oxamide
CID 108529940
(E)-2,3-dimethyl-4-oxo-4-(1H-1,2,4-triazol-5-ylamino)but-2-enoic acid
CID 122235567
2-oxo-N-(1H-1,2,4-triazol-5-yl)-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoline-4-carboxamide
CID 74611271
1-(2-adamantyl)-3-(1H-1,2,4-triazol-5-yl)urea
CID 23582287
N-cyclohexyl-N'-phenyloxamide
CID 2271218
(E)-3-methyl-4-oxo-4-(1H-1,2,4-triazol-5-ylamino)but-2-enoic acid
CID 82335526
N-[(4-fluorophenyl)methyl]-N'-(1H-1,2,4-triazol-5-yl)oxamide
CID 108529871
1-(1H-1,2,4-triazol-5-yl)-3-[4-(1H-1,2,4-triazol-5-ylcarbamoylamino)phenyl]urea
CID 4577270
N-cyclopropyl-N'-pyrimidin-2-yloxamide
CID 44996583
N-cyclopentyl-N'-(3,4-dichlorophenyl)oxamide
CID 2059042

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N'-(1H-1,2,4-triazol-5-yl)oxamide?
The IUPAC name of N-cyclopentyl-N'-(1H-1,2,4-triazol-5-yl)oxamide (CID 108506010) is N-cyclopentyl-N'-(1H-1,2,4-triazol-5-yl)oxamide.
What is the SMILES notation for N-cyclopentyl-N'-(1H-1,2,4-triazol-5-yl)oxamide?
The canonical SMILES for N-cyclopentyl-N'-(1H-1,2,4-triazol-5-yl)oxamide is O=C(Nc1ncn[nH]1)C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-N'-(1H-1,2,4-triazol-5-yl)oxamide?
The InChIKey is DCCSTPZTOABRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c15-7(12-6-3-1-2-4-6)8(16)13-9-10-5-11-14-9/h5-6H,1-4H2,(H,12,15)(H2,10,11,13,14,16).
What are the key properties of N-cyclopentyl-N'-(1H-1,2,4-triazol-5-yl)oxamide?
N-cyclopentyl-N'-(1H-1,2,4-triazol-5-yl)oxamide has a molecular weight of 223.24 g/mol, XLogP of -0.20, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N'-(1H-1,2,4-triazol-5-yl)oxamide is sourced from PubChem (CID 108506010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).