N-[3-(hydroxymethyl)pentan-3-yl]-3-(triazol-1-yl)propanamide

C11H20N4O2 — CID 62519178

IUPACN-[3-(hydroxymethyl)pentan-3-yl]-3-(triazol-1-yl)propanamide
SMILESCCC(CC)(CO)NC(=O)CCn1ccnn1
InChIInChI=1S/C11H20N4O2/c1-3-11(4-2,9-16)13-10(17)5-7-15-8-6-12-14-15/h6,8,16H,3-5,7,9H2,1-2H3,(H,13,17)
InChIKeyKAHRAQJIDFZLIS-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.34
Rot. Bonds7

About N-[3-(hydroxymethyl)pentan-3-yl]-3-(triazol-1-yl)propanamide

N-[3-(hydroxymethyl)pentan-3-yl]-3-(triazol-1-yl)propanamide (PubChem CID 62519178) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)pentan-3-yl]-3-(triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)pentan-3-yl]-3-(triazol-1-yl)propanamide
PubChem CID62519178
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC NameN-[3-(hydroxymethyl)pentan-3-yl]-3-(triazol-1-yl)propanamide
SMILESCCC(CC)(CO)NC(=O)CCn1ccnn1
InChIInChI=1S/C11H20N4O2/c1-3-11(4-2,9-16)13-10(17)5-7-15-8-6-12-14-15/h6,8,16H,3-5,7,9H2,1-2H3,(H,13,17)
InChIKeyKAHRAQJIDFZLIS-UHFFFAOYSA-N
XLogP0.34
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]-3-(triazol-1-yl)propanamide?
The IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]-3-(triazol-1-yl)propanamide (CID 62519178) is N-[3-(hydroxymethyl)pentan-3-yl]-3-(triazol-1-yl)propanamide.
What is the SMILES notation for N-[3-(hydroxymethyl)pentan-3-yl]-3-(triazol-1-yl)propanamide?
The canonical SMILES for N-[3-(hydroxymethyl)pentan-3-yl]-3-(triazol-1-yl)propanamide is CCC(CC)(CO)NC(=O)CCn1ccnn1.
What is the InChIKey of N-[3-(hydroxymethyl)pentan-3-yl]-3-(triazol-1-yl)propanamide?
The InChIKey is KAHRAQJIDFZLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-3-11(4-2,9-16)13-10(17)5-7-15-8-6-12-14-15/h6,8,16H,3-5,7,9H2,1-2H3,(H,13,17).
What are the key properties of N-[3-(hydroxymethyl)pentan-3-yl]-3-(triazol-1-yl)propanamide?
N-[3-(hydroxymethyl)pentan-3-yl]-3-(triazol-1-yl)propanamide has a molecular weight of 240.31 g/mol, XLogP of 0.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)pentan-3-yl]-3-(triazol-1-yl)propanamide is sourced from PubChem (CID 62519178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).