N-(dicyclopropylmethyl)-2-(1,2,4-triazol-1-yl)acetamide

C11H16N4O — CID 47020126

IUPACN-(dicyclopropylmethyl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)NC(C1CC1)C1CC1
InChIInChI=1S/C11H16N4O/c16-10(5-15-7-12-6-13-15)14-11(8-1-2-8)9-3-4-9/h6-9,11H,1-5H2,(H,14,16)
InChIKeyOSZAHZWCCFCIBC-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.58
Rot. Bonds5

About N-(dicyclopropylmethyl)-2-(1,2,4-triazol-1-yl)acetamide

N-(dicyclopropylmethyl)-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 47020126) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID47020126
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC NameN-(dicyclopropylmethyl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)NC(C1CC1)C1CC1
InChIInChI=1S/C11H16N4O/c16-10(5-15-7-12-6-13-15)14-11(8-1-2-8)9-3-4-9/h6-9,11H,1-5H2,(H,14,16)
InChIKeyOSZAHZWCCFCIBC-UHFFFAOYSA-N
XLogP0.58
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-(dicyclopropylmethyl)-2-(1,2,4-triazol-1-yl)acetamide (CID 47020126) is N-(dicyclopropylmethyl)-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-(dicyclopropylmethyl)-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-(dicyclopropylmethyl)-2-(1,2,4-triazol-1-yl)acetamide is O=C(Cn1cncn1)NC(C1CC1)C1CC1.
What is the InChIKey of N-(dicyclopropylmethyl)-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is OSZAHZWCCFCIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c16-10(5-15-7-12-6-13-15)14-11(8-1-2-8)9-3-4-9/h6-9,11H,1-5H2,(H,14,16).
What are the key properties of N-(dicyclopropylmethyl)-2-(1,2,4-triazol-1-yl)acetamide?
N-(dicyclopropylmethyl)-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 220.28 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 47020126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).