5-(3-phenylmethoxyphenyl)-1,2,3-triaza-4-azanidacyclopenta-2,5-diene

C14H11N4O- — CID 7010321

IUPAC5-(3-phenylmethoxyphenyl)-1,2,3-triaza-4-azanidacyclopenta-2,5-diene
SMILESc1ccc(COc2cccc(-c3nnn[n-]3)c2)cc1
InChIInChI=1S/C14H11N4O/c1-2-5-11(6-3-1)10-19-13-8-4-7-12(9-13)14-15-17-18-16-14/h1-9H,10H2/q-1
InChIKeyCSJRXZRMNNCHQQ-UHFFFAOYSA-N
MW251.27 g/mol
LogP2.07
Rot. Bonds4

About 5-(3-phenylmethoxyphenyl)-1,2,3-triaza-4-azanidacyclopenta-2,5-diene

5-(3-phenylmethoxyphenyl)-1,2,3-triaza-4-azanidacyclopenta-2,5-diene (PubChem CID 7010321) has the molecular formula C14H11N4O- and a molecular weight of 251.27 g/mol. Its IUPAC name is 5-(3-phenylmethoxyphenyl)-1,2,3-triaza-4-azanidacyclopenta-2,5-diene.

Molecular Properties

Compound Name5-(3-phenylmethoxyphenyl)-1,2,3-triaza-4-azanidacyclopenta-2,5-diene
PubChem CID7010321
Molecular FormulaC14H11N4O-
Molecular Weight251.27 g/mol
Exact Mass251.09
IUPAC Name5-(3-phenylmethoxyphenyl)-1,2,3-triaza-4-azanidacyclopenta-2,5-diene
SMILESc1ccc(COc2cccc(-c3nnn[n-]3)c2)cc1
InChIInChI=1S/C14H11N4O/c1-2-5-11(6-3-1)10-19-13-8-4-7-12(9-13)14-15-17-18-16-14/h1-9H,10H2/q-1
InChIKeyCSJRXZRMNNCHQQ-UHFFFAOYSA-N
XLogP2.07
TPSA62.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-Methoxyphenyl)-2H-tetrazole
CID 307902
2H-Tetrazole-2-propanenitrile, 5-(4-(phenylmethoxy)phenyl)-
CID 3076090
5-{4-[(2-fluorobenzyl)oxy]phenyl}-2-isopropyl-2H-tetrazole
CID 2223801
5-{4-[(2-fluorobenzyl)oxy]phenyl}-2-methyl-2H-tetrazole
CID 748005
5-(4-butoxyphenyl)-2H-tetrazole
CID 3718258
2-Benzyl-5-(4-methoxy-phenyl)-2H-tetrazole
CID 6491488
5-(3-methoxyphenyl)-1H-1,2,3,4-tetrazole
CID 3498447
N~1~-[3-(benzyloxy)benzyl]-1H-tetrazole-1,5-diamine
CID 833835
[5-(4-Benzyloxy-3-methoxy-phenyl)-tetrazol-2-yl]-acetonitrile
CID 650154
[5-(3-Methoxy-phenyl)-tetrazol-2-yl]-acetic acid ethyl ester
CID 653651
2-{5-[4-(4-Fluoro-benzyloxy)-phenyl]-tetrazol-2-yl}-ethanol
CID 10495446
2-[5-(4-Benzyloxy-phenyl)-tetrazol-2-yl]-ethanol
CID 10518033

Frequently Asked Questions

What is the IUPAC name of 5-(3-phenylmethoxyphenyl)-1,2,3-triaza-4-azanidacyclopenta-2,5-diene?
The IUPAC name of 5-(3-phenylmethoxyphenyl)-1,2,3-triaza-4-azanidacyclopenta-2,5-diene (CID 7010321) is 5-(3-phenylmethoxyphenyl)-1,2,3-triaza-4-azanidacyclopenta-2,5-diene.
What is the SMILES notation for 5-(3-phenylmethoxyphenyl)-1,2,3-triaza-4-azanidacyclopenta-2,5-diene?
The canonical SMILES for 5-(3-phenylmethoxyphenyl)-1,2,3-triaza-4-azanidacyclopenta-2,5-diene is c1ccc(COc2cccc(-c3nnn[n-]3)c2)cc1.
What is the InChIKey of 5-(3-phenylmethoxyphenyl)-1,2,3-triaza-4-azanidacyclopenta-2,5-diene?
The InChIKey is CSJRXZRMNNCHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N4O/c1-2-5-11(6-3-1)10-19-13-8-4-7-12(9-13)14-15-17-18-16-14/h1-9H,10H2/q-1.
What are the key properties of 5-(3-phenylmethoxyphenyl)-1,2,3-triaza-4-azanidacyclopenta-2,5-diene?
5-(3-phenylmethoxyphenyl)-1,2,3-triaza-4-azanidacyclopenta-2,5-diene has a molecular weight of 251.27 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenylmethoxyphenyl)-1,2,3-triaza-4-azanidacyclopenta-2,5-diene is sourced from PubChem (CID 7010321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).