(1R)-N-[(1-phenyltetrazol-5-yl)methyl]-1-[4-(triazol-1-yl)phenyl]ethanamine

C18H18N8 — CID 99851340

IUPAC(1R)-N-[(1-phenyltetrazol-5-yl)methyl]-1-[4-(triazol-1-yl)phenyl]ethanamine
SMILESC[C@@H](NCc1nnnn1-c1ccccc1)c1ccc(-n2ccnn2)cc1
InChIInChI=1S/C18H18N8/c1-14(15-7-9-16(10-8-15)25-12-11-20-23-25)19-13-18-21-22-24-26(18)17-5-3-2-4-6-17/h2-12,14,19H,13H2,1H3/t14-/m1/s1
InChIKeyWVCAEDIUUSRPOA-CQSZACIVSA-N
MW346.40 g/mol
LogP2.09
Rot. Bonds6

About (1R)-N-[(1-phenyltetrazol-5-yl)methyl]-1-[4-(triazol-1-yl)phenyl]ethanamine

(1R)-N-[(1-phenyltetrazol-5-yl)methyl]-1-[4-(triazol-1-yl)phenyl]ethanamine (PubChem CID 99851340) has the molecular formula C18H18N8 and a molecular weight of 346.40 g/mol. Its IUPAC name is (1R)-N-[(1-phenyltetrazol-5-yl)methyl]-1-[4-(triazol-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-N-[(1-phenyltetrazol-5-yl)methyl]-1-[4-(triazol-1-yl)phenyl]ethanamine
PubChem CID99851340
Molecular FormulaC18H18N8
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name(1R)-N-[(1-phenyltetrazol-5-yl)methyl]-1-[4-(triazol-1-yl)phenyl]ethanamine
SMILESC[C@@H](NCc1nnnn1-c1ccccc1)c1ccc(-n2ccnn2)cc1
InChIInChI=1S/C18H18N8/c1-14(15-7-9-16(10-8-15)25-12-11-20-23-25)19-13-18-21-22-24-26(18)17-5-3-2-4-6-17/h2-12,14,19H,13H2,1H3/t14-/m1/s1
InChIKeyWVCAEDIUUSRPOA-CQSZACIVSA-N
XLogP2.09
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (1R)-N-[(1-phenyltetrazol-5-yl)methyl]-1-[4-(triazol-1-yl)phenyl]ethanamine with MolForge

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Related Compounds

1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 62627609
(1R)-N-[(1-propan-2-yltetrazol-5-yl)methyl]-1-(4-pyrazol-1-ylphenyl)ethanamine
CID 97334618
(1S)-N-[(1-propan-2-yltetrazol-5-yl)methyl]-1-(4-pyrazol-1-ylphenyl)ethanamine
CID 97334617
N-[(1-phenyltetrazol-5-yl)methyl]-1-[3-(1,2,4-triazol-1-yl)phenyl]ethanamine
CID 84598718
1-(5-methylfuran-2-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 60673289
2-[(1-phenyltetrazol-5-yl)methylamino]propanoic acid
CID 43467064
N-[(1-phenyltetrazol-5-yl)methyl]pentan-2-amine
CID 60672263
(1R)-1-(4-imidazol-1-ylphenyl)-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]ethanamine
CID 97258413
1-(5-methyl-1,3-oxazol-2-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 103893693
N-(2H-chromen-3-ylmethyl)-1-[4-(triazol-1-yl)phenyl]ethanamine
CID 166185013
1-(2,4-dichlorophenyl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 47010886
1-imidazol-1-yl-N-[(1-phenyltetrazol-5-yl)methyl]propan-2-amine
CID 62625643

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(1-phenyltetrazol-5-yl)methyl]-1-[4-(triazol-1-yl)phenyl]ethanamine?
The IUPAC name of (1R)-N-[(1-phenyltetrazol-5-yl)methyl]-1-[4-(triazol-1-yl)phenyl]ethanamine (CID 99851340) is (1R)-N-[(1-phenyltetrazol-5-yl)methyl]-1-[4-(triazol-1-yl)phenyl]ethanamine.
What is the SMILES notation for (1R)-N-[(1-phenyltetrazol-5-yl)methyl]-1-[4-(triazol-1-yl)phenyl]ethanamine?
The canonical SMILES for (1R)-N-[(1-phenyltetrazol-5-yl)methyl]-1-[4-(triazol-1-yl)phenyl]ethanamine is C[C@@H](NCc1nnnn1-c1ccccc1)c1ccc(-n2ccnn2)cc1.
What is the InChIKey of (1R)-N-[(1-phenyltetrazol-5-yl)methyl]-1-[4-(triazol-1-yl)phenyl]ethanamine?
The InChIKey is WVCAEDIUUSRPOA-CQSZACIVSA-N. The full InChI is InChI=1S/C18H18N8/c1-14(15-7-9-16(10-8-15)25-12-11-20-23-25)19-13-18-21-22-24-26(18)17-5-3-2-4-6-17/h2-12,14,19H,13H2,1H3/t14-/m1/s1.
What are the key properties of (1R)-N-[(1-phenyltetrazol-5-yl)methyl]-1-[4-(triazol-1-yl)phenyl]ethanamine?
(1R)-N-[(1-phenyltetrazol-5-yl)methyl]-1-[4-(triazol-1-yl)phenyl]ethanamine has a molecular weight of 346.40 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(1-phenyltetrazol-5-yl)methyl]-1-[4-(triazol-1-yl)phenyl]ethanamine is sourced from PubChem (CID 99851340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).