N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-morpholin-4-ylpropanamide

C17H27N5O3 — CID 91764177

IUPACN-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-morpholin-4-ylpropanamide
SMILESO=C(CCN1CCOCC1)NC1CC(c2nnc(CO)n2C2CC2)C1
InChIInChI=1S/C17H27N5O3/c23-11-15-19-20-17(22(15)14-1-2-14)12-9-13(10-12)18-16(24)3-4-21-5-7-25-8-6-21/h12-14,23H,1-11H2,(H,18,24)
InChIKeyBJZGRIHGVRXSDC-UHFFFAOYSA-N
MW349.44 g/mol
LogP0.19
Rot. Bonds7

About N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-morpholin-4-ylpropanamide

N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-morpholin-4-ylpropanamide (PubChem CID 91764177) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-morpholin-4-ylpropanamide
PubChem CID91764177
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC NameN-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-morpholin-4-ylpropanamide
SMILESO=C(CCN1CCOCC1)NC1CC(c2nnc(CO)n2C2CC2)C1
InChIInChI=1S/C17H27N5O3/c23-11-15-19-20-17(22(15)14-1-2-14)12-9-13(10-12)18-16(24)3-4-21-5-7-25-8-6-21/h12-14,23H,1-11H2,(H,18,24)
InChIKeyBJZGRIHGVRXSDC-UHFFFAOYSA-N
XLogP0.19
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-morpholin-4-ylpropanamide?
The IUPAC name of N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-morpholin-4-ylpropanamide (CID 91764177) is N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-morpholin-4-ylpropanamide.
What is the SMILES notation for N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-morpholin-4-ylpropanamide is O=C(CCN1CCOCC1)NC1CC(c2nnc(CO)n2C2CC2)C1.
What is the InChIKey of N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-morpholin-4-ylpropanamide?
The InChIKey is BJZGRIHGVRXSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3/c23-11-15-19-20-17(22(15)14-1-2-14)12-9-13(10-12)18-16(24)3-4-21-5-7-25-8-6-21/h12-14,23H,1-11H2,(H,18,24).
What are the key properties of N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-morpholin-4-ylpropanamide?
N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-morpholin-4-ylpropanamide has a molecular weight of 349.44 g/mol, XLogP of 0.19, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 91764177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).