N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(triazol-1-yl)acetamide

C9H14N4O2 — CID 80716454

IUPACN-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(triazol-1-yl)acetamide
SMILESO=C(Cn1ccnn1)NCC1(CO)CC1
InChIInChI=1S/C9H14N4O2/c14-7-9(1-2-9)6-10-8(15)5-13-4-3-11-12-13/h3-4,14H,1-2,5-7H2,(H,10,15)
InChIKeyKZBIRNWAMWNPJL-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.83
Rot. Bonds5

About N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(triazol-1-yl)acetamide

N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(triazol-1-yl)acetamide (PubChem CID 80716454) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(triazol-1-yl)acetamide
PubChem CID80716454
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(triazol-1-yl)acetamide
SMILESO=C(Cn1ccnn1)NCC1(CO)CC1
InChIInChI=1S/C9H14N4O2/c14-7-9(1-2-9)6-10-8(15)5-13-4-3-11-12-13/h3-4,14H,1-2,5-7H2,(H,10,15)
InChIKeyKZBIRNWAMWNPJL-UHFFFAOYSA-N
XLogP-0.83
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 ≤ 5-0.83
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]methyl]-2-(triazol-1-yl)acetamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(triazol-1-yl)acetamide (CID 80716454) is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(triazol-1-yl)acetamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(triazol-1-yl)acetamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(triazol-1-yl)acetamide is O=C(Cn1ccnn1)NCC1(CO)CC1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(triazol-1-yl)acetamide?
The InChIKey is KZBIRNWAMWNPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c14-7-9(1-2-9)6-10-8(15)5-13-4-3-11-12-13/h3-4,14H,1-2,5-7H2,(H,10,15).
What are the key properties of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(triazol-1-yl)acetamide?
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(triazol-1-yl)acetamide has a molecular weight of 210.24 g/mol, XLogP of -0.83, 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]methyl]-2-(triazol-1-yl)acetamide is sourced from PubChem (CID 80716454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).