formic acid;3-imidazol-1-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]propanamide

C14H22N6O3 — CID 154907579

IUPACformic acid;3-imidazol-1-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]propanamide
SMILESCCCn1ncnc1C(C)NC(=O)CCn1ccnc1.O=CO
InChIInChI=1S/C13H20N6O.CH2O2/c1-3-6-19-13(15-9-16-19)11(2)17-12(20)4-7-18-8-5-14-10-18;2-1-3/h5,8-11H,3-4,6-7H2,1-2H3,(H,17,20);1H,(H,2,3)
InChIKeySRSSNUGENWOJOM-UHFFFAOYSA-N
MW322.37 g/mol
LogP0.85
Rot. Bonds7

About formic acid;3-imidazol-1-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]propanamide

formic acid;3-imidazol-1-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]propanamide (PubChem CID 154907579) has the molecular formula C14H22N6O3 and a molecular weight of 322.37 g/mol. Its IUPAC name is formic acid;3-imidazol-1-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Nameformic acid;3-imidazol-1-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]propanamide
PubChem CID154907579
Molecular FormulaC14H22N6O3
Molecular Weight322.37 g/mol
Exact Mass322.18
IUPAC Nameformic acid;3-imidazol-1-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]propanamide
SMILESCCCn1ncnc1C(C)NC(=O)CCn1ccnc1.O=CO
InChIInChI=1S/C13H20N6O.CH2O2/c1-3-6-19-13(15-9-16-19)11(2)17-12(20)4-7-18-8-5-14-10-18;2-1-3/h5,8-11H,3-4,6-7H2,1-2H3,(H,17,20);1H,(H,2,3)
InChIKeySRSSNUGENWOJOM-UHFFFAOYSA-N
XLogP0.85
TPSA114.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-(imidazol-1-ylmethyl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 125443628
N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-3-pyridin-3-ylpropanamide
CID 118784796
3-(4-methyl-1,2,4-triazol-3-yl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 118793035
3-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 125444216
2-methylsulfonyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 122570467
N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 125439874
N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 125439875
2-(4-methylpyrazol-1-yl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 122567315
(2S)-2-(3-imidazol-1-ylpropanoylamino)pentanoic acid
CID 107564539
4-[[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]amino]-4-oxobutanoic acid
CID 125437669
N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 91784996
1-propan-2-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-3-carboxamide
CID 119065761

Frequently Asked Questions

What is the IUPAC name of formic acid;3-imidazol-1-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]propanamide?
The IUPAC name of formic acid;3-imidazol-1-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]propanamide (CID 154907579) is formic acid;3-imidazol-1-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]propanamide.
What is the SMILES notation for formic acid;3-imidazol-1-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]propanamide?
The canonical SMILES for formic acid;3-imidazol-1-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]propanamide is CCCn1ncnc1C(C)NC(=O)CCn1ccnc1.O=CO.
What is the InChIKey of formic acid;3-imidazol-1-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]propanamide?
The InChIKey is SRSSNUGENWOJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O.CH2O2/c1-3-6-19-13(15-9-16-19)11(2)17-12(20)4-7-18-8-5-14-10-18;2-1-3/h5,8-11H,3-4,6-7H2,1-2H3,(H,17,20);1H,(H,2,3).
What are the key properties of formic acid;3-imidazol-1-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]propanamide?
formic acid;3-imidazol-1-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]propanamide has a molecular weight of 322.37 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;3-imidazol-1-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]propanamide is sourced from PubChem (CID 154907579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).