[4-[3-(aminomethyl)phenyl]-5H-tetrazol-1-yl]-morpholin-4-ylmethanone

C13H18N6O2 — CID 174935530

IUPAC[4-[3-(aminomethyl)phenyl]-5H-tetrazol-1-yl]-morpholin-4-ylmethanone
SMILESNCc1cccc(N2CN(C(=O)N3CCOCC3)N=N2)c1
InChIInChI=1S/C13H18N6O2/c14-9-11-2-1-3-12(8-11)18-10-19(16-15-18)13(20)17-4-6-21-7-5-17/h1-3,8H,4-7,9-10,14H2
InChIKeyATLZAABNTDZFTB-UHFFFAOYSA-N
MW290.33 g/mol
LogP0.96
Rot. Bonds2

About [4-[3-(aminomethyl)phenyl]-5H-tetrazol-1-yl]-morpholin-4-ylmethanone

[4-[3-(aminomethyl)phenyl]-5H-tetrazol-1-yl]-morpholin-4-ylmethanone (PubChem CID 174935530) has the molecular formula C13H18N6O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is [4-[3-(aminomethyl)phenyl]-5H-tetrazol-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[3-(aminomethyl)phenyl]-5H-tetrazol-1-yl]-morpholin-4-ylmethanone
PubChem CID174935530
Molecular FormulaC13H18N6O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC Name[4-[3-(aminomethyl)phenyl]-5H-tetrazol-1-yl]-morpholin-4-ylmethanone
SMILESNCc1cccc(N2CN(C(=O)N3CCOCC3)N=N2)c1
InChIInChI=1S/C13H18N6O2/c14-9-11-2-1-3-12(8-11)18-10-19(16-15-18)13(20)17-4-6-21-7-5-17/h1-3,8H,4-7,9-10,14H2
InChIKeyATLZAABNTDZFTB-UHFFFAOYSA-N
XLogP0.96
TPSA86.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(3,5-difluorophenyl)-5H-tetrazol-1-yl]-morpholin-4-ylmethanone
CID 174936577
morpholin-4-yl-[4-[2-(trifluoromethyl)phenyl]-5H-tetrazol-1-yl]methanone
CID 159943110
2-[3-(aminomethyl)phenyl]sulfanyl-1-morpholin-4-ylpropan-1-one
CID 66354946
[3-(3-methylmorpholin-4-yl)phenyl]methanamine
CID 102813467
N-[3-(aminomethyl)phenyl]-2-morpholin-4-ylacetamide
CID 16779234
4-[2-(3-morpholin-4-ylphenyl)acetyl]morpholine-2-carboxamide
CID 102562606
1-morpholin-4-yl-2-[3-(triazol-1-yl)phenyl]ethanone
CID 141342527
2-(3-morpholin-4-ylphenyl)ethanol
CID 11788996
(Z)-3-[[3-(aminomethyl)phenyl]methylamino]-2-(morpholine-4-carbonyl)prop-2-enenitrile
CID 108843685
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 110398802
morpholin-4-yl-(3-morpholin-4-ylphenyl)methanone
CID 22057964
N-[[3-[(morpholine-4-carbonylamino)methyl]phenyl]methyl]morpholine-4-carboxamide
CID 118585548

Frequently Asked Questions

What is the IUPAC name of [4-[3-(aminomethyl)phenyl]-5H-tetrazol-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[3-(aminomethyl)phenyl]-5H-tetrazol-1-yl]-morpholin-4-ylmethanone (CID 174935530) is [4-[3-(aminomethyl)phenyl]-5H-tetrazol-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[3-(aminomethyl)phenyl]-5H-tetrazol-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[3-(aminomethyl)phenyl]-5H-tetrazol-1-yl]-morpholin-4-ylmethanone is NCc1cccc(N2CN(C(=O)N3CCOCC3)N=N2)c1.
What is the InChIKey of [4-[3-(aminomethyl)phenyl]-5H-tetrazol-1-yl]-morpholin-4-ylmethanone?
The InChIKey is ATLZAABNTDZFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2/c14-9-11-2-1-3-12(8-11)18-10-19(16-15-18)13(20)17-4-6-21-7-5-17/h1-3,8H,4-7,9-10,14H2.
What are the key properties of [4-[3-(aminomethyl)phenyl]-5H-tetrazol-1-yl]-morpholin-4-ylmethanone?
[4-[3-(aminomethyl)phenyl]-5H-tetrazol-1-yl]-morpholin-4-ylmethanone has a molecular weight of 290.33 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(aminomethyl)phenyl]-5H-tetrazol-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 174935530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).