4-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]oxolane-3-carboxamide

C11H19N5O2 — CID 66259125

IUPAC4-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)NCCc1ncn[nH]1
InChIInChI=1S/C11H19N5O2/c1-2-12-9-6-18-5-8(9)11(17)13-4-3-10-14-7-15-16-10/h7-9,12H,2-6H2,1H3,(H,13,17)(H,14,15,16)
InChIKeyRCWGBGOLMDCPLE-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.91
Rot. Bonds6

About 4-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]oxolane-3-carboxamide

4-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]oxolane-3-carboxamide (PubChem CID 66259125) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]oxolane-3-carboxamide
PubChem CID66259125
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name4-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)NCCc1ncn[nH]1
InChIInChI=1S/C11H19N5O2/c1-2-12-9-6-18-5-8(9)11(17)13-4-3-10-14-7-15-16-10/h7-9,12H,2-6H2,1H3,(H,13,17)(H,14,15,16)
InChIKeyRCWGBGOLMDCPLE-UHFFFAOYSA-N
XLogP-0.91
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide
CID 64531607
4-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]oxolane-3-carboxamide
CID 106397784
4-ethyl-2-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114511873
4-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]oxolane-3-carboxamide
CID 106105001
N-[2-(dimethylamino)ethyl]-4-(ethylamino)oxolane-3-carboxamide
CID 66257864
4-(ethylamino)-N-pent-4-ynyloxolane-3-carboxamide
CID 106221939
7-[[4-(ethylamino)oxolane-3-carbonyl]amino]heptanoic acid
CID 66257729
N-(cyclopropylmethyl)-4-(ethylamino)oxolane-3-carboxamide
CID 66258449
1-ethylsulfonyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-4-carboxamide
CID 64547042
2-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-3-carboxamide
CID 79758881
4-(ethylamino)-N-(5-methylsulfanylpentyl)oxolane-3-carboxamide
CID 114127316
3-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexane-1-carboxamide
CID 71980106

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]oxolane-3-carboxamide?
The IUPAC name of 4-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]oxolane-3-carboxamide (CID 66259125) is 4-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]oxolane-3-carboxamide?
The canonical SMILES for 4-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]oxolane-3-carboxamide is CCNC1COCC1C(=O)NCCc1ncn[nH]1.
What is the InChIKey of 4-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]oxolane-3-carboxamide?
The InChIKey is RCWGBGOLMDCPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-2-12-9-6-18-5-8(9)11(17)13-4-3-10-14-7-15-16-10/h7-9,12H,2-6H2,1H3,(H,13,17)(H,14,15,16).
What are the key properties of 4-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]oxolane-3-carboxamide?
4-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]oxolane-3-carboxamide has a molecular weight of 253.31 g/mol, XLogP of -0.91, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 66259125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).