N-(dicyclopropylmethyl)-2-(2-phenyltriazol-4-yl)acetamide

C17H20N4O — CID 71941312

IUPACN-(dicyclopropylmethyl)-2-(2-phenyltriazol-4-yl)acetamide
SMILESO=C(Cc1cnn(-c2ccccc2)n1)NC(C1CC1)C1CC1
InChIInChI=1S/C17H20N4O/c22-16(19-17(12-6-7-12)13-8-9-13)10-14-11-18-21(20-14)15-4-2-1-3-5-15/h1-5,11-13,17H,6-10H2,(H,19,22)
InChIKeyRHBAAFRYYBWMHS-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.11
Rot. Bonds6

About N-(dicyclopropylmethyl)-2-(2-phenyltriazol-4-yl)acetamide

N-(dicyclopropylmethyl)-2-(2-phenyltriazol-4-yl)acetamide (PubChem CID 71941312) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-2-(2-phenyltriazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-2-(2-phenyltriazol-4-yl)acetamide
PubChem CID71941312
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-(dicyclopropylmethyl)-2-(2-phenyltriazol-4-yl)acetamide
SMILESO=C(Cc1cnn(-c2ccccc2)n1)NC(C1CC1)C1CC1
InChIInChI=1S/C17H20N4O/c22-16(19-17(12-6-7-12)13-8-9-13)10-14-11-18-21(20-14)15-4-2-1-3-5-15/h1-5,11-13,17H,6-10H2,(H,19,22)
InChIKeyRHBAAFRYYBWMHS-UHFFFAOYSA-N
XLogP2.11
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-2-(2-phenyltriazol-4-yl)acetamide?
The IUPAC name of N-(dicyclopropylmethyl)-2-(2-phenyltriazol-4-yl)acetamide (CID 71941312) is N-(dicyclopropylmethyl)-2-(2-phenyltriazol-4-yl)acetamide.
What is the SMILES notation for N-(dicyclopropylmethyl)-2-(2-phenyltriazol-4-yl)acetamide?
The canonical SMILES for N-(dicyclopropylmethyl)-2-(2-phenyltriazol-4-yl)acetamide is O=C(Cc1cnn(-c2ccccc2)n1)NC(C1CC1)C1CC1.
What is the InChIKey of N-(dicyclopropylmethyl)-2-(2-phenyltriazol-4-yl)acetamide?
The InChIKey is RHBAAFRYYBWMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c22-16(19-17(12-6-7-12)13-8-9-13)10-14-11-18-21(20-14)15-4-2-1-3-5-15/h1-5,11-13,17H,6-10H2,(H,19,22).
What are the key properties of N-(dicyclopropylmethyl)-2-(2-phenyltriazol-4-yl)acetamide?
N-(dicyclopropylmethyl)-2-(2-phenyltriazol-4-yl)acetamide has a molecular weight of 296.37 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-2-(2-phenyltriazol-4-yl)acetamide is sourced from PubChem (CID 71941312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).