N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C16H24N6O2 — CID 72840946

IUPACN-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCOCCCn1cnnc1C(C)NC(=O)c1n[nH]c2c1CCCC2
InChIInChI=1S/C16H24N6O2/c1-11(15-21-17-10-22(15)8-5-9-24-2)18-16(23)14-12-6-3-4-7-13(12)19-20-14/h10-11H,3-9H2,1-2H3,(H,18,23)(H,19,20)
InChIKeyCTZQNFNQCFCFNZ-UHFFFAOYSA-N
MW332.41 g/mol
LogP1.41
Rot. Bonds7

About N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 72840946) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID72840946
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC NameN-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCOCCCn1cnnc1C(C)NC(=O)c1n[nH]c2c1CCCC2
InChIInChI=1S/C16H24N6O2/c1-11(15-21-17-10-22(15)8-5-9-24-2)18-16(23)14-12-6-3-4-7-13(12)19-20-14/h10-11H,3-9H2,1-2H3,(H,18,23)(H,19,20)
InChIKeyCTZQNFNQCFCFNZ-UHFFFAOYSA-N
XLogP1.41
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 72840946) is N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is COCCCn1cnnc1C(C)NC(=O)c1n[nH]c2c1CCCC2.
What is the InChIKey of N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is CTZQNFNQCFCFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-11(15-21-17-10-22(15)8-5-9-24-2)18-16(23)14-12-6-3-4-7-13(12)19-20-14/h10-11H,3-9H2,1-2H3,(H,18,23)(H,19,20).
What are the key properties of N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 72840946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).