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

C18H26N6O2 — CID 91767784

IUPACN-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
SMILESCn1c(CO)nnc1C1CC(NC(=O)CCc2n[nH]c3c2CCCC3)C1
InChIInChI=1S/C18H26N6O2/c1-24-16(10-25)22-23-18(24)11-8-12(9-11)19-17(26)7-6-15-13-4-2-3-5-14(13)20-21-15/h11-12,25H,2-10H2,1H3,(H,19,26)(H,20,21)
InChIKeyKGIJRVPAUIYSOH-UHFFFAOYSA-N
MW358.45 g/mol
LogP0.90
Rot. Bonds6

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

N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide (PubChem CID 91767784) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
PubChem CID91767784
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC NameN-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
SMILESCn1c(CO)nnc1C1CC(NC(=O)CCc2n[nH]c3c2CCCC3)C1
InChIInChI=1S/C18H26N6O2/c1-24-16(10-25)22-23-18(24)11-8-12(9-11)19-17(26)7-6-15-13-4-2-3-5-14(13)20-21-15/h11-12,25H,2-10H2,1H3,(H,19,26)(H,20,21)
InChIKeyKGIJRVPAUIYSOH-UHFFFAOYSA-N
XLogP0.90
TPSA108.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 91765865
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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
The IUPAC name of N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide (CID 91767784) is N-[3-[5-(hydroxymethyl)-4-methyl-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-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
The canonical SMILES for N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide is Cn1c(CO)nnc1C1CC(NC(=O)CCc2n[nH]c3c2CCCC3)C1.
What is the InChIKey of N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
The InChIKey is KGIJRVPAUIYSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-24-16(10-25)22-23-18(24)11-8-12(9-11)19-17(26)7-6-15-13-4-2-3-5-14(13)20-21-15/h11-12,25H,2-10H2,1H3,(H,19,26)(H,20,21).
What are the key properties of N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide has a molecular weight of 358.45 g/mol, XLogP of 0.90, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide is sourced from PubChem (CID 91767784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).