N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]morpholine-3-carboxamide;hydrochloride

C16H20ClN5O2 — CID 119763577

IUPACN-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]morpholine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(-c2n[nH]c(C3CC3)n2)c1)C1COCCN1
InChIInChI=1S/C16H19N5O2.ClH/c22-16(13-9-23-7-6-17-13)18-12-3-1-2-11(8-12)15-19-14(20-21-15)10-4-5-10;/h1-3,8,10,13,17H,4-7,9H2,(H,18,22)(H,19,20,21);1H
InChIKeyPRJHVKSVLWOLTR-UHFFFAOYSA-N
MW349.82 g/mol
LogP1.70
Rot. Bonds4

About N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]morpholine-3-carboxamide;hydrochloride

N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]morpholine-3-carboxamide;hydrochloride (PubChem CID 119763577) has the molecular formula C16H20ClN5O2 and a molecular weight of 349.82 g/mol. Its IUPAC name is N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]morpholine-3-carboxamide;hydrochloride
PubChem CID119763577
Molecular FormulaC16H20ClN5O2
Molecular Weight349.82 g/mol
Exact Mass349.13
IUPAC NameN-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]morpholine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(-c2n[nH]c(C3CC3)n2)c1)C1COCCN1
InChIInChI=1S/C16H19N5O2.ClH/c22-16(13-9-23-7-6-17-13)18-12-3-1-2-11(8-12)15-19-14(20-21-15)10-4-5-10;/h1-3,8,10,13,17H,4-7,9H2,(H,18,22)(H,19,20,21);1H
InChIKeyPRJHVKSVLWOLTR-UHFFFAOYSA-N
XLogP1.70
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]morpholine-3-carboxamide;hydrochloride (CID 119763577) is N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]morpholine-3-carboxamide;hydrochloride is Cl.O=C(Nc1cccc(-c2n[nH]c(C3CC3)n2)c1)C1COCCN1.
What is the InChIKey of N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is PRJHVKSVLWOLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2.ClH/c22-16(13-9-23-7-6-17-13)18-12-3-1-2-11(8-12)15-19-14(20-21-15)10-4-5-10;/h1-3,8,10,13,17H,4-7,9H2,(H,18,22)(H,19,20,21);1H.
What are the key properties of N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]morpholine-3-carboxamide;hydrochloride?
N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]morpholine-3-carboxamide;hydrochloride has a molecular weight of 349.82 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119763577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).