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

C9H14N4O2 — CID 115877716

IUPACN-[1-(hydroxymethyl)cyclopropyl]-3-(triazol-1-yl)propanamide
SMILESO=C(CCn1ccnn1)NC1(CO)CC1
InChIInChI=1S/C9H14N4O2/c14-7-9(2-3-9)11-8(15)1-5-13-6-4-10-12-13/h4,6,14H,1-3,5,7H2,(H,11,15)
InChIKeyJMOCSOWJUJMYHQ-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.69
Rot. Bonds5

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

N-[1-(hydroxymethyl)cyclopropyl]-3-(triazol-1-yl)propanamide (PubChem CID 115877716) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopropyl]-3-(triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopropyl]-3-(triazol-1-yl)propanamide
PubChem CID115877716
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC NameN-[1-(hydroxymethyl)cyclopropyl]-3-(triazol-1-yl)propanamide
SMILESO=C(CCn1ccnn1)NC1(CO)CC1
InChIInChI=1S/C9H14N4O2/c14-7-9(2-3-9)11-8(15)1-5-13-6-4-10-12-13/h4,6,14H,1-3,5,7H2,(H,11,15)
InChIKeyJMOCSOWJUJMYHQ-UHFFFAOYSA-N
XLogP-0.69
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopropyl]-3-(triazol-1-yl)propanamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopropyl]-3-(triazol-1-yl)propanamide (CID 115877716) is N-[1-(hydroxymethyl)cyclopropyl]-3-(triazol-1-yl)propanamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopropyl]-3-(triazol-1-yl)propanamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopropyl]-3-(triazol-1-yl)propanamide is O=C(CCn1ccnn1)NC1(CO)CC1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopropyl]-3-(triazol-1-yl)propanamide?
The InChIKey is JMOCSOWJUJMYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c14-7-9(2-3-9)11-8(15)1-5-13-6-4-10-12-13/h4,6,14H,1-3,5,7H2,(H,11,15).
What are the key properties of N-[1-(hydroxymethyl)cyclopropyl]-3-(triazol-1-yl)propanamide?
N-[1-(hydroxymethyl)cyclopropyl]-3-(triazol-1-yl)propanamide has a molecular weight of 210.24 g/mol, XLogP of -0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopropyl]-3-(triazol-1-yl)propanamide is sourced from PubChem (CID 115877716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).