N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide

C13H18N6O2 — CID 64511214

IUPACN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)N(C)Cc2n[nH]c(C)n2)ccc1=O
InChIInChI=1S/C13H18N6O2/c1-4-7-19-12(20)6-5-10(17-19)13(21)18(3)8-11-14-9(2)15-16-11/h5-6H,4,7-8H2,1-3H3,(H,14,15,16)
InChIKeyOSYGVVCLEMLOGD-UHFFFAOYSA-N
MW290.33 g/mol
LogP0.35
Rot. Bonds5

About N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide

N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 64511214) has the molecular formula C13H18N6O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID64511214
Molecular FormulaC13H18N6O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC NameN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)N(C)Cc2n[nH]c(C)n2)ccc1=O
InChIInChI=1S/C13H18N6O2/c1-4-7-19-12(20)6-5-10(17-19)13(21)18(3)8-11-14-9(2)15-16-11/h5-6H,4,7-8H2,1-3H3,(H,14,15,16)
InChIKeyOSYGVVCLEMLOGD-UHFFFAOYSA-N
XLogP0.35
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide (CID 64511214) is N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)N(C)Cc2n[nH]c(C)n2)ccc1=O.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is OSYGVVCLEMLOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2/c1-4-7-19-12(20)6-5-10(17-19)13(21)18(3)8-11-14-9(2)15-16-11/h5-6H,4,7-8H2,1-3H3,(H,14,15,16).
What are the key properties of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide?
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 290.33 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 64511214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).