N-methyl-1-(oxolan-2-ylmethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)triazole-4-carboxamide

C17H24N6O2 — CID 45232109

IUPACN-methyl-1-(oxolan-2-ylmethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)triazole-4-carboxamide
SMILESCN(Cc1n[nH]c2c1CCCC2)C(=O)c1cn(CC2CCCO2)nn1
InChIInChI=1S/C17H24N6O2/c1-22(10-15-13-6-2-3-7-14(13)18-19-15)17(24)16-11-23(21-20-16)9-12-5-4-8-25-12/h11-12H,2-10H2,1H3,(H,18,19)
InChIKeyBQFZUMNPWRRNRP-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.33
Rot. Bonds5

About N-methyl-1-(oxolan-2-ylmethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)triazole-4-carboxamide

N-methyl-1-(oxolan-2-ylmethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)triazole-4-carboxamide (PubChem CID 45232109) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-methyl-1-(oxolan-2-ylmethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(oxolan-2-ylmethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)triazole-4-carboxamide
PubChem CID45232109
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC NameN-methyl-1-(oxolan-2-ylmethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)triazole-4-carboxamide
SMILESCN(Cc1n[nH]c2c1CCCC2)C(=O)c1cn(CC2CCCO2)nn1
InChIInChI=1S/C17H24N6O2/c1-22(10-15-13-6-2-3-7-14(13)18-19-15)17(24)16-11-23(21-20-16)9-12-5-4-8-25-12/h11-12H,2-10H2,1H3,(H,18,19)
InChIKeyBQFZUMNPWRRNRP-UHFFFAOYSA-N
XLogP1.33
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxolan-2-ylmethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)triazole-4-carboxamide?
The IUPAC name of N-methyl-1-(oxolan-2-ylmethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)triazole-4-carboxamide (CID 45232109) is N-methyl-1-(oxolan-2-ylmethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for N-methyl-1-(oxolan-2-ylmethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for N-methyl-1-(oxolan-2-ylmethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)triazole-4-carboxamide is CN(Cc1n[nH]c2c1CCCC2)C(=O)c1cn(CC2CCCO2)nn1.
What is the InChIKey of N-methyl-1-(oxolan-2-ylmethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)triazole-4-carboxamide?
The InChIKey is BQFZUMNPWRRNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-22(10-15-13-6-2-3-7-14(13)18-19-15)17(24)16-11-23(21-20-16)9-12-5-4-8-25-12/h11-12H,2-10H2,1H3,(H,18,19).
What are the key properties of N-methyl-1-(oxolan-2-ylmethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)triazole-4-carboxamide?
N-methyl-1-(oxolan-2-ylmethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)triazole-4-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxolan-2-ylmethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 45232109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).