N-(3-morpholin-4-ylpropyl)-1-phenyltetrazol-5-amine

C14H20N6O — CID 2453962

IUPACN-(3-morpholin-4-ylpropyl)-1-phenyltetrazol-5-amine
SMILESc1ccc(-n2nnnc2NCCCN2CCOCC2)cc1
InChIInChI=1S/C14H20N6O/c1-2-5-13(6-3-1)20-14(16-17-18-20)15-7-4-8-19-9-11-21-12-10-19/h1-3,5-6H,4,7-12H2,(H,15,16,18)
InChIKeyYRYJYMUTSSWCJK-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.80
Rot. Bonds6

About N-(3-morpholin-4-ylpropyl)-1-phenyltetrazol-5-amine

N-(3-morpholin-4-ylpropyl)-1-phenyltetrazol-5-amine (PubChem CID 2453962) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-1-phenyltetrazol-5-amine.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-1-phenyltetrazol-5-amine
PubChem CID2453962
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC NameN-(3-morpholin-4-ylpropyl)-1-phenyltetrazol-5-amine
SMILESc1ccc(-n2nnnc2NCCCN2CCOCC2)cc1
InChIInChI=1S/C14H20N6O/c1-2-5-13(6-3-1)20-14(16-17-18-20)15-7-4-8-19-9-11-21-12-10-19/h1-3,5-6H,4,7-12H2,(H,15,16,18)
InChIKeyYRYJYMUTSSWCJK-UHFFFAOYSA-N
XLogP0.80
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(1-phenyl-1H-tetraazol-5-yl)methyl]morpholine
CID 3029444
4-(1-phenyl-1H-tetrazol-5-yl)morpholine
CID 1281750
N-[2-(1-cyclohexenyl)ethyl]-1-phenyl-5-tetrazolamine
CID 2547390
4-(5-Morpholin-4-ylmethyl-tetrazol-1-yl)-phenylamine
CID 3184571
N-Cyclohexyl-1-phenyl-1H-tetraazol-5-amine
CID 543435
2-{[4-(Phenylamino)-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]amino}ethan-1-ol
CID 4767568
4-(1-Phenyltetrazol-5-yl)piperazin-2-one
CID 2540535
2,6-Dimethyl-4-(1-phenyltetrazol-5-yl)morpholine
CID 2928885
3-(5-Morpholin-4-ylmethyl-tetrazol-1-yl)-phenylamine
CID 3186686
4-(4-morpholinyl)-N-phenyl-6-(1-pyrrolidinyl)-1,3,5-triazin-2-amine
CID 24747212
N-Butyl-N-(1-phenyltetrazol-5-yl)amine
CID 12678651
1-(2-Methoxyethyl)-4-[3-(1-phenyltetrazol-5-yl)propyl]piperazine
CID 53534390

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-1-phenyltetrazol-5-amine?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-1-phenyltetrazol-5-amine (CID 2453962) is N-(3-morpholin-4-ylpropyl)-1-phenyltetrazol-5-amine.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-1-phenyltetrazol-5-amine?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-1-phenyltetrazol-5-amine is c1ccc(-n2nnnc2NCCCN2CCOCC2)cc1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-1-phenyltetrazol-5-amine?
The InChIKey is YRYJYMUTSSWCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-2-5-13(6-3-1)20-14(16-17-18-20)15-7-4-8-19-9-11-21-12-10-19/h1-3,5-6H,4,7-12H2,(H,15,16,18).
What are the key properties of N-(3-morpholin-4-ylpropyl)-1-phenyltetrazol-5-amine?
N-(3-morpholin-4-ylpropyl)-1-phenyltetrazol-5-amine has a molecular weight of 288.35 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-1-phenyltetrazol-5-amine is sourced from PubChem (CID 2453962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).