N-propyl-N-prop-2-ynyl-3-(1,2,4-triazol-1-yl)propanamide

C11H16N4O — CID 78970605

IUPACN-propyl-N-prop-2-ynyl-3-(1,2,4-triazol-1-yl)propanamide
SMILESC#CCN(CCC)C(=O)CCn1cncn1
InChIInChI=1S/C11H16N4O/c1-3-6-14(7-4-2)11(16)5-8-15-10-12-9-13-15/h1,9-10H,4-8H2,2H3
InChIKeyGMWFGJGETIDLTA-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.54
Rot. Bonds6

About N-propyl-N-prop-2-ynyl-3-(1,2,4-triazol-1-yl)propanamide

N-propyl-N-prop-2-ynyl-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 78970605) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is N-propyl-N-prop-2-ynyl-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-propyl-N-prop-2-ynyl-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID78970605
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC NameN-propyl-N-prop-2-ynyl-3-(1,2,4-triazol-1-yl)propanamide
SMILESC#CCN(CCC)C(=O)CCn1cncn1
InChIInChI=1S/C11H16N4O/c1-3-6-14(7-4-2)11(16)5-8-15-10-12-9-13-15/h1,9-10H,4-8H2,2H3
InChIKeyGMWFGJGETIDLTA-UHFFFAOYSA-N
XLogP0.54
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[propyl-[3-(1,2,4-triazol-1-yl)propanoyl]amino]acetate
CID 55005668
N-propyl-N-pyrrolidin-3-yl-3-(1,2,4-triazol-1-yl)propanamide
CID 60806180
2-[2-methylpropyl-[3-(1,2,4-triazol-1-yl)propanoyl]amino]acetic acid
CID 55148204
4-ethoxy-N-propyl-N-prop-2-ynylbutanamide
CID 78970496
N-ethyl-N-prop-2-ynyl-2-(1,2,4-triazol-1-yl)propanamide
CID 78957977
ethyl 2-[propan-2-yl-[3-(1,2,4-triazol-1-yl)propanoyl]amino]acetate
CID 54896492
2-[2-oxo-2-[propyl(prop-2-ynyl)amino]ethyl]benzoic acid
CID 113431534
N-(4-hydroxyphenyl)-N-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 28788947
N-(3-amino-4-methylpentyl)-N-methyl-3-(1,2,4-triazol-1-yl)propanamide;hydrochloride
CID 119657366
3,3,3-trifluoro-N-propyl-N-prop-2-ynylpropanamide
CID 78971073
methyl 3-(1,2,4-triazol-1-yl)propanoate;hydrochloride
CID 51051880
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 106611811

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-prop-2-ynyl-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-propyl-N-prop-2-ynyl-3-(1,2,4-triazol-1-yl)propanamide (CID 78970605) is N-propyl-N-prop-2-ynyl-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-propyl-N-prop-2-ynyl-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-propyl-N-prop-2-ynyl-3-(1,2,4-triazol-1-yl)propanamide is C#CCN(CCC)C(=O)CCn1cncn1.
What is the InChIKey of N-propyl-N-prop-2-ynyl-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is GMWFGJGETIDLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-3-6-14(7-4-2)11(16)5-8-15-10-12-9-13-15/h1,9-10H,4-8H2,2H3.
What are the key properties of N-propyl-N-prop-2-ynyl-3-(1,2,4-triazol-1-yl)propanamide?
N-propyl-N-prop-2-ynyl-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 220.28 g/mol, XLogP of 0.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-prop-2-ynyl-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 78970605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).