1-methyl-3-[2-(1-methylpyrazol-4-yl)-5-(oxan-4-yl)-1,2,4-triazol-3-yl]indazole

C19H21N7O — CID 138383649

IUPAC1-methyl-3-[2-(1-methylpyrazol-4-yl)-5-(oxan-4-yl)-1,2,4-triazol-3-yl]indazole
SMILESCn1cc(-n2nc(C3CCOCC3)nc2-c2nn(C)c3ccccc23)cn1
InChIInChI=1S/C19H21N7O/c1-24-12-14(11-20-24)26-19(21-18(23-26)13-7-9-27-10-8-13)17-15-5-3-4-6-16(15)25(2)22-17/h3-6,11-13H,7-10H2,1-2H3
InChIKeyWXKSVMDWJLZJEZ-UHFFFAOYSA-N
MW363.43 g/mol
LogP2.45
Rot. Bonds3

About 1-methyl-3-[2-(1-methylpyrazol-4-yl)-5-(oxan-4-yl)-1,2,4-triazol-3-yl]indazole

1-methyl-3-[2-(1-methylpyrazol-4-yl)-5-(oxan-4-yl)-1,2,4-triazol-3-yl]indazole (PubChem CID 138383649) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is 1-methyl-3-[2-(1-methylpyrazol-4-yl)-5-(oxan-4-yl)-1,2,4-triazol-3-yl]indazole.

Molecular Properties

Compound Name1-methyl-3-[2-(1-methylpyrazol-4-yl)-5-(oxan-4-yl)-1,2,4-triazol-3-yl]indazole
PubChem CID138383649
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC Name1-methyl-3-[2-(1-methylpyrazol-4-yl)-5-(oxan-4-yl)-1,2,4-triazol-3-yl]indazole
SMILESCn1cc(-n2nc(C3CCOCC3)nc2-c2nn(C)c3ccccc23)cn1
InChIInChI=1S/C19H21N7O/c1-24-12-14(11-20-24)26-19(21-18(23-26)13-7-9-27-10-8-13)17-15-5-3-4-6-16(15)25(2)22-17/h3-6,11-13H,7-10H2,1-2H3
InChIKeyWXKSVMDWJLZJEZ-UHFFFAOYSA-N
XLogP2.45
TPSA75.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(1-methylpyrazol-4-yl)-5-(oxan-4-yl)-1,2,4-triazol-3-yl]indazole?
The IUPAC name of 1-methyl-3-[2-(1-methylpyrazol-4-yl)-5-(oxan-4-yl)-1,2,4-triazol-3-yl]indazole (CID 138383649) is 1-methyl-3-[2-(1-methylpyrazol-4-yl)-5-(oxan-4-yl)-1,2,4-triazol-3-yl]indazole.
What is the SMILES notation for 1-methyl-3-[2-(1-methylpyrazol-4-yl)-5-(oxan-4-yl)-1,2,4-triazol-3-yl]indazole?
The canonical SMILES for 1-methyl-3-[2-(1-methylpyrazol-4-yl)-5-(oxan-4-yl)-1,2,4-triazol-3-yl]indazole is Cn1cc(-n2nc(C3CCOCC3)nc2-c2nn(C)c3ccccc23)cn1.
What is the InChIKey of 1-methyl-3-[2-(1-methylpyrazol-4-yl)-5-(oxan-4-yl)-1,2,4-triazol-3-yl]indazole?
The InChIKey is WXKSVMDWJLZJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O/c1-24-12-14(11-20-24)26-19(21-18(23-26)13-7-9-27-10-8-13)17-15-5-3-4-6-16(15)25(2)22-17/h3-6,11-13H,7-10H2,1-2H3.
What are the key properties of 1-methyl-3-[2-(1-methylpyrazol-4-yl)-5-(oxan-4-yl)-1,2,4-triazol-3-yl]indazole?
1-methyl-3-[2-(1-methylpyrazol-4-yl)-5-(oxan-4-yl)-1,2,4-triazol-3-yl]indazole has a molecular weight of 363.43 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(1-methylpyrazol-4-yl)-5-(oxan-4-yl)-1,2,4-triazol-3-yl]indazole is sourced from PubChem (CID 138383649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).