N-pent-4-yn-2-yl-2-(1,2,4-triazol-1-yl)propanamide

C10H14N4O — CID 115661997

IUPACN-pent-4-yn-2-yl-2-(1,2,4-triazol-1-yl)propanamide
SMILESC#CCC(C)NC(=O)C(C)n1cncn1
InChIInChI=1S/C10H14N4O/c1-4-5-8(2)13-10(15)9(3)14-7-11-6-12-14/h1,6-9H,5H2,2-3H3,(H,13,15)
InChIKeyTXRXKENNZKBURY-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.37
Rot. Bonds4

About N-pent-4-yn-2-yl-2-(1,2,4-triazol-1-yl)propanamide

N-pent-4-yn-2-yl-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 115661997) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is N-pent-4-yn-2-yl-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-pent-4-yn-2-yl-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID115661997
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC NameN-pent-4-yn-2-yl-2-(1,2,4-triazol-1-yl)propanamide
SMILESC#CCC(C)NC(=O)C(C)n1cncn1
InChIInChI=1S/C10H14N4O/c1-4-5-8(2)13-10(15)9(3)14-7-11-6-12-14/h1,6-9H,5H2,2-3H3,(H,13,15)
InChIKeyTXRXKENNZKBURY-UHFFFAOYSA-N
XLogP0.37
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-pentan-2-yl-2-(1,2,4-triazol-1-yl)propanamide
CID 60729091
N-(4-hydroxybutan-2-yl)-2-(1,2,4-triazol-1-yl)propanamide
CID 115283422
N-[(2R)-1-aminopropan-2-yl]-2-(1,2,4-triazol-1-yl)propanamide
CID 104873120
(2R)-2-[2-(1,2,4-triazol-1-yl)propanoylamino]propanoic acid
CID 78972744
N-(1-hydroxy-3-methylbutan-2-yl)-2-(1,2,4-triazol-1-yl)propanamide
CID 79252621
N-(2-methylpropyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 60729141
N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 43417459
N-[(2R)-2-hydroxypropyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 83032149
N-(1-hydroxybutan-2-yl)-2-(1,2,4-triazol-1-yl)propanamide
CID 43419282
N-ethyl-N-prop-2-ynyl-2-(1,2,4-triazol-1-yl)propanamide
CID 78957977
(2R)-N-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-2-(1,2,4-triazol-1-yl)propanamide
CID 129358962
4-methyl-2-[2-(1,2,4-triazol-1-yl)propanoylamino]pentanoic acid
CID 43210967

Frequently Asked Questions

What is the IUPAC name of N-pent-4-yn-2-yl-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-pent-4-yn-2-yl-2-(1,2,4-triazol-1-yl)propanamide (CID 115661997) is N-pent-4-yn-2-yl-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-pent-4-yn-2-yl-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-pent-4-yn-2-yl-2-(1,2,4-triazol-1-yl)propanamide is C#CCC(C)NC(=O)C(C)n1cncn1.
What is the InChIKey of N-pent-4-yn-2-yl-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is TXRXKENNZKBURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-4-5-8(2)13-10(15)9(3)14-7-11-6-12-14/h1,6-9H,5H2,2-3H3,(H,13,15).
What are the key properties of N-pent-4-yn-2-yl-2-(1,2,4-triazol-1-yl)propanamide?
N-pent-4-yn-2-yl-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 206.25 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-4-yn-2-yl-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 115661997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).