2-methyl-N-[2-(3-methyltriazol-4-yl)ethyl]propanamide

C9H16N4O — CID 155354741

IUPAC2-methyl-N-[2-(3-methyltriazol-4-yl)ethyl]propanamide
SMILESCC(C)C(=O)NCCc1cnnn1C
InChIInChI=1S/C9H16N4O/c1-7(2)9(14)10-5-4-8-6-11-12-13(8)3/h6-7H,4-5H2,1-3H3,(H,10,14)
InChIKeyOMNVWHAVDINRLQ-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.13
Rot. Bonds4

About 2-methyl-N-[2-(3-methyltriazol-4-yl)ethyl]propanamide

2-methyl-N-[2-(3-methyltriazol-4-yl)ethyl]propanamide (PubChem CID 155354741) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-methyl-N-[2-(3-methyltriazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-(3-methyltriazol-4-yl)ethyl]propanamide
PubChem CID155354741
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-methyl-N-[2-(3-methyltriazol-4-yl)ethyl]propanamide
SMILESCC(C)C(=O)NCCc1cnnn1C
InChIInChI=1S/C9H16N4O/c1-7(2)9(14)10-5-4-8-6-11-12-13(8)3/h6-7H,4-5H2,1-3H3,(H,10,14)
InChIKeyOMNVWHAVDINRLQ-UHFFFAOYSA-N
XLogP0.13
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(3-methyltriazol-4-yl)ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-(3-methyltriazol-4-yl)ethyl]propanamide (CID 155354741) is 2-methyl-N-[2-(3-methyltriazol-4-yl)ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-(3-methyltriazol-4-yl)ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-(3-methyltriazol-4-yl)ethyl]propanamide is CC(C)C(=O)NCCc1cnnn1C.
What is the InChIKey of 2-methyl-N-[2-(3-methyltriazol-4-yl)ethyl]propanamide?
The InChIKey is OMNVWHAVDINRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7(2)9(14)10-5-4-8-6-11-12-13(8)3/h6-7H,4-5H2,1-3H3,(H,10,14).
What are the key properties of 2-methyl-N-[2-(3-methyltriazol-4-yl)ethyl]propanamide?
2-methyl-N-[2-(3-methyltriazol-4-yl)ethyl]propanamide has a molecular weight of 196.25 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(3-methyltriazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 155354741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).