N,N-di(propan-2-yl)-2-(1,2,4-triazol-1-yl)acetamide

C10H18N4O — CID 13036589

IUPACN,N-di(propan-2-yl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESCC(C)N(C(=O)Cn1cncn1)C(C)C
InChIInChI=1S/C10H18N4O/c1-8(2)14(9(3)4)10(15)5-13-7-11-6-12-13/h6-9H,5H2,1-4H3
InChIKeyMHADFMSGBSQRQH-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.92
Rot. Bonds4

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

N,N-di(propan-2-yl)-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 13036589) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is N,N-di(propan-2-yl)-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN,N-di(propan-2-yl)-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID13036589
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC NameN,N-di(propan-2-yl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESCC(C)N(C(=O)Cn1cncn1)C(C)C
InChIInChI=1S/C10H18N4O/c1-8(2)14(9(3)4)10(15)5-13-7-11-6-12-13/h6-9H,5H2,1-4H3
InChIKeyMHADFMSGBSQRQH-UHFFFAOYSA-N
XLogP0.92
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-di(propan-2-yl)-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N,N-di(propan-2-yl)-2-(1,2,4-triazol-1-yl)acetamide (CID 13036589) is N,N-di(propan-2-yl)-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N,N-di(propan-2-yl)-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N,N-di(propan-2-yl)-2-(1,2,4-triazol-1-yl)acetamide is CC(C)N(C(=O)Cn1cncn1)C(C)C.
What is the InChIKey of N,N-di(propan-2-yl)-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is MHADFMSGBSQRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-8(2)14(9(3)4)10(15)5-13-7-11-6-12-13/h6-9H,5H2,1-4H3.
What are the key properties of N,N-di(propan-2-yl)-2-(1,2,4-triazol-1-yl)acetamide?
N,N-di(propan-2-yl)-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 210.28 g/mol, XLogP of 0.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 13036589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).