(4-morpholin-4-ylphenyl)-(1-phenyltetrazol-5-yl)methanamine

C18H20N6O — CID 134836088

IUPAC(4-morpholin-4-ylphenyl)-(1-phenyltetrazol-5-yl)methanamine
SMILESNC(c1ccc(N2CCOCC2)cc1)c1nnnn1-c1ccccc1
InChIInChI=1S/C18H20N6O/c19-17(18-20-21-22-24(18)16-4-2-1-3-5-16)14-6-8-15(9-7-14)23-10-12-25-13-11-23/h1-9,17H,10-13,19H2
InChIKeyJAWVAKLQQGCGND-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.55
Rot. Bonds4

About (4-morpholin-4-ylphenyl)-(1-phenyltetrazol-5-yl)methanamine

(4-morpholin-4-ylphenyl)-(1-phenyltetrazol-5-yl)methanamine (PubChem CID 134836088) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is (4-morpholin-4-ylphenyl)-(1-phenyltetrazol-5-yl)methanamine.

Molecular Properties

Compound Name(4-morpholin-4-ylphenyl)-(1-phenyltetrazol-5-yl)methanamine
PubChem CID134836088
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name(4-morpholin-4-ylphenyl)-(1-phenyltetrazol-5-yl)methanamine
SMILESNC(c1ccc(N2CCOCC2)cc1)c1nnnn1-c1ccccc1
InChIInChI=1S/C18H20N6O/c19-17(18-20-21-22-24(18)16-4-2-1-3-5-16)14-6-8-15(9-7-14)23-10-12-25-13-11-23/h1-9,17H,10-13,19H2
InChIKeyJAWVAKLQQGCGND-UHFFFAOYSA-N
XLogP1.55
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4-morpholin-4-ylphenyl)-(1-phenyltetrazol-5-yl)methanamine?
The IUPAC name of (4-morpholin-4-ylphenyl)-(1-phenyltetrazol-5-yl)methanamine (CID 134836088) is (4-morpholin-4-ylphenyl)-(1-phenyltetrazol-5-yl)methanamine.
What is the SMILES notation for (4-morpholin-4-ylphenyl)-(1-phenyltetrazol-5-yl)methanamine?
The canonical SMILES for (4-morpholin-4-ylphenyl)-(1-phenyltetrazol-5-yl)methanamine is NC(c1ccc(N2CCOCC2)cc1)c1nnnn1-c1ccccc1.
What is the InChIKey of (4-morpholin-4-ylphenyl)-(1-phenyltetrazol-5-yl)methanamine?
The InChIKey is JAWVAKLQQGCGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c19-17(18-20-21-22-24(18)16-4-2-1-3-5-16)14-6-8-15(9-7-14)23-10-12-25-13-11-23/h1-9,17H,10-13,19H2.
What are the key properties of (4-morpholin-4-ylphenyl)-(1-phenyltetrazol-5-yl)methanamine?
(4-morpholin-4-ylphenyl)-(1-phenyltetrazol-5-yl)methanamine has a molecular weight of 336.40 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-morpholin-4-ylphenyl)-(1-phenyltetrazol-5-yl)methanamine is sourced from PubChem (CID 134836088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).