N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide

C19H28N6O2 — CID 91781294

IUPACN-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
SMILESCCn1c(CO)nnc1C1CC(NC(=O)CCc2n[nH]c3c2CCCC3)C1
InChIInChI=1S/C19H28N6O2/c1-2-25-17(11-26)23-24-19(25)12-9-13(10-12)20-18(27)8-7-16-14-5-3-4-6-15(14)21-22-16/h12-13,26H,2-11H2,1H3,(H,20,27)(H,21,22)
InChIKeyBMSCZNXELAKYTF-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.39
Rot. Bonds7

About N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide

N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide (PubChem CID 91781294) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
PubChem CID91781294
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC NameN-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
SMILESCCn1c(CO)nnc1C1CC(NC(=O)CCc2n[nH]c3c2CCCC3)C1
InChIInChI=1S/C19H28N6O2/c1-2-25-17(11-26)23-24-19(25)12-9-13(10-12)20-18(27)8-7-16-14-5-3-4-6-15(14)21-22-16/h12-13,26H,2-11H2,1H3,(H,20,27)(H,21,22)
InChIKeyBMSCZNXELAKYTF-UHFFFAOYSA-N
XLogP1.39
TPSA108.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
The IUPAC name of N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide (CID 91781294) is N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide.
What is the SMILES notation for N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
The canonical SMILES for N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide is CCn1c(CO)nnc1C1CC(NC(=O)CCc2n[nH]c3c2CCCC3)C1.
What is the InChIKey of N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
The InChIKey is BMSCZNXELAKYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2/c1-2-25-17(11-26)23-24-19(25)12-9-13(10-12)20-18(27)8-7-16-14-5-3-4-6-15(14)21-22-16/h12-13,26H,2-11H2,1H3,(H,20,27)(H,21,22).
What are the key properties of N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide has a molecular weight of 372.47 g/mol, XLogP of 1.39, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide is sourced from PubChem (CID 91781294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).