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

C11H19N5O2 — CID 66258699

IUPAC4-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)NCc1nncn1C
InChIInChI=1S/C11H19N5O2/c1-3-12-9-6-18-5-8(9)11(17)13-4-10-15-14-7-16(10)2/h7-9,12H,3-6H2,1-2H3,(H,13,17)
InChIKeyNFGZMGCFDUDRMW-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.94
Rot. Bonds5

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

4-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolane-3-carboxamide (PubChem CID 66258699) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolane-3-carboxamide
PubChem CID66258699
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name4-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)NCc1nncn1C
InChIInChI=1S/C11H19N5O2/c1-3-12-9-6-18-5-8(9)11(17)13-4-10-15-14-7-16(10)2/h7-9,12H,3-6H2,1-2H3,(H,13,17)
InChIKeyNFGZMGCFDUDRMW-UHFFFAOYSA-N
XLogP-0.94
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 82237375
4-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]oxolane-3-carboxamide
CID 106105001
N-(2,5-dimethylpyrazol-3-yl)-4-(ethylamino)oxolane-3-carboxamide
CID 66258072
4-(ethylamino)-N-(2-phenylpropyl)oxolane-3-carboxamide
CID 66260251
4-(ethylamino)-N-[(3-methyl-2-pyridinyl)methyl]oxolane-3-carboxamide
CID 66257562
4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid
CID 66238975
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 78983059
4-(ethylamino)-N-(2,2,3,3-tetrafluoropropyl)oxolane-3-carboxamide
CID 106291682
2-[[[4-(ethylamino)oxolane-3-carbonyl]amino]methyl]butanoic acid
CID 66259127
3-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide
CID 66010021
(2S)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 61164033
3-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 66249974

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolane-3-carboxamide?
The IUPAC name of 4-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolane-3-carboxamide (CID 66258699) is 4-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolane-3-carboxamide?
The canonical SMILES for 4-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolane-3-carboxamide is CCNC1COCC1C(=O)NCc1nncn1C.
What is the InChIKey of 4-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolane-3-carboxamide?
The InChIKey is NFGZMGCFDUDRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-3-12-9-6-18-5-8(9)11(17)13-4-10-15-14-7-16(10)2/h7-9,12H,3-6H2,1-2H3,(H,13,17).
What are the key properties of 4-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolane-3-carboxamide?
4-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolane-3-carboxamide has a molecular weight of 253.31 g/mol, XLogP of -0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 66258699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).