N-pentan-3-yl-3-(1,2,4-triazol-1-yl)propanamide

C10H18N4O — CID 51075629

IUPACN-pentan-3-yl-3-(1,2,4-triazol-1-yl)propanamide
SMILESCCC(CC)NC(=O)CCn1cncn1
InChIInChI=1S/C10H18N4O/c1-3-9(4-2)13-10(15)5-6-14-8-11-7-12-14/h7-9H,3-6H2,1-2H3,(H,13,15)
InChIKeyRRZMPUOEBCRARF-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.97
Rot. Bonds6

About N-pentan-3-yl-3-(1,2,4-triazol-1-yl)propanamide

N-pentan-3-yl-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 51075629) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is N-pentan-3-yl-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-pentan-3-yl-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID51075629
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC NameN-pentan-3-yl-3-(1,2,4-triazol-1-yl)propanamide
SMILESCCC(CC)NC(=O)CCn1cncn1
InChIInChI=1S/C10H18N4O/c1-3-9(4-2)13-10(15)5-6-14-8-11-7-12-14/h7-9H,3-6H2,1-2H3,(H,13,15)
InChIKeyRRZMPUOEBCRARF-UHFFFAOYSA-N
XLogP0.97
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-pentan-3-yl-3-(1,2,4-triazol-1-yl)propanamide (CID 51075629) is N-pentan-3-yl-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-pentan-3-yl-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-pentan-3-yl-3-(1,2,4-triazol-1-yl)propanamide is CCC(CC)NC(=O)CCn1cncn1.
What is the InChIKey of N-pentan-3-yl-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is RRZMPUOEBCRARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-3-9(4-2)13-10(15)5-6-14-8-11-7-12-14/h7-9H,3-6H2,1-2H3,(H,13,15).
What are the key properties of N-pentan-3-yl-3-(1,2,4-triazol-1-yl)propanamide?
N-pentan-3-yl-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 210.28 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 51075629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).