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

C14H18ClN5O2 — CID 119781726

IUPACN-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCc1cccc(-n2cncn2)c1)C1CNCCO1
InChIInChI=1S/C14H17N5O2.ClH/c20-14(13-8-15-4-5-21-13)17-7-11-2-1-3-12(6-11)19-10-16-9-18-19;/h1-3,6,9-10,13,15H,4-5,7-8H2,(H,17,20);1H
InChIKeyBPNYPUPVFGAYPN-UHFFFAOYSA-N
MW323.78 g/mol
LogP0.29
Rot. Bonds4

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

N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride (PubChem CID 119781726) has the molecular formula C14H18ClN5O2 and a molecular weight of 323.78 g/mol. Its IUPAC name is N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
PubChem CID119781726
Molecular FormulaC14H18ClN5O2
Molecular Weight323.78 g/mol
Exact Mass323.11
IUPAC NameN-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCc1cccc(-n2cncn2)c1)C1CNCCO1
InChIInChI=1S/C14H17N5O2.ClH/c20-14(13-8-15-4-5-21-13)17-7-11-2-1-3-12(6-11)19-10-16-9-18-19;/h1-3,6,9-10,13,15H,4-5,7-8H2,(H,17,20);1H
InChIKeyBPNYPUPVFGAYPN-UHFFFAOYSA-N
XLogP0.29
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 119705770
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CID 119846941
N-[[3-(pyrrolidine-1-carbonylamino)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119743730
(2R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]morpholine-2-carboxamide
CID 124588176
N-[[3-(ethylcarbamoyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119734842
N-[[3-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide
CID 119767529
3-amino-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119781706
N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)morpholine-2-carboxamide;hydrochloride
CID 154900926
1-amino-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]cyclopropane-1-carboxamide
CID 119781695
N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119719704
N-[[3-(2-methylbutanoylamino)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119716891
N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide
CID 119727025

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride (CID 119781726) is N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride is Cl.O=C(NCc1cccc(-n2cncn2)c1)C1CNCCO1.
What is the InChIKey of N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is BPNYPUPVFGAYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2.ClH/c20-14(13-8-15-4-5-21-13)17-7-11-2-1-3-12(6-11)19-10-16-9-18-19;/h1-3,6,9-10,13,15H,4-5,7-8H2,(H,17,20);1H.
What are the key properties of N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride?
N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 323.78 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119781726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).