2-methyl-N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide

C12H15N5O — CID 73440586

IUPAC2-methyl-N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide
SMILESCC(C)C(=O)NCc1nc(-c2cccnc2)n[nH]1
InChIInChI=1S/C12H15N5O/c1-8(2)12(18)14-7-10-15-11(17-16-10)9-4-3-5-13-6-9/h3-6,8H,7H2,1-2H3,(H,14,18)(H,15,16,17)
InChIKeyUAECCPONBBBBGX-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.14
Rot. Bonds4

About 2-methyl-N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide

2-methyl-N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide (PubChem CID 73440586) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 2-methyl-N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide
PubChem CID73440586
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name2-methyl-N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide
SMILESCC(C)C(=O)NCc1nc(-c2cccnc2)n[nH]1
InChIInChI=1S/C12H15N5O/c1-8(2)12(18)14-7-10-15-11(17-16-10)9-4-3-5-13-6-9/h3-6,8H,7H2,1-2H3,(H,14,18)(H,15,16,17)
InChIKeyUAECCPONBBBBGX-UHFFFAOYSA-N
XLogP1.14
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide?
The IUPAC name of 2-methyl-N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide (CID 73440586) is 2-methyl-N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide?
The canonical SMILES for 2-methyl-N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide is CC(C)C(=O)NCc1nc(-c2cccnc2)n[nH]1.
What is the InChIKey of 2-methyl-N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide?
The InChIKey is UAECCPONBBBBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-8(2)12(18)14-7-10-15-11(17-16-10)9-4-3-5-13-6-9/h3-6,8H,7H2,1-2H3,(H,14,18)(H,15,16,17).
What are the key properties of 2-methyl-N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide?
2-methyl-N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide has a molecular weight of 245.29 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide is sourced from PubChem (CID 73440586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).