1-(2,3-dimethylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine

C19H22N6 — CID 9311510

IUPAC1-(2,3-dimethylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine
SMILESCc1cccc(N2CCN(c3nnnn3-c3ccccc3)CC2)c1C
InChIInChI=1S/C19H22N6/c1-15-7-6-10-18(16(15)2)23-11-13-24(14-12-23)19-20-21-22-25(19)17-8-4-3-5-9-17/h3-10H,11-14H2,1-2H3
InChIKeyFCMWIBLICYCPAH-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.61
Rot. Bonds3

About 1-(2,3-dimethylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine

1-(2,3-dimethylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine (PubChem CID 9311510) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine
PubChem CID9311510
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC Name1-(2,3-dimethylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine
SMILESCc1cccc(N2CCN(c3nnnn3-c3ccccc3)CC2)c1C
InChIInChI=1S/C19H22N6/c1-15-7-6-10-18(16(15)2)23-11-13-24(14-12-23)19-20-21-22-25(19)17-8-4-3-5-9-17/h3-10H,11-14H2,1-2H3
InChIKeyFCMWIBLICYCPAH-UHFFFAOYSA-N
XLogP2.61
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-methylsulfonyl-4-(1-phenyltetrazol-5-yl)piperazine
CID 27306331
1-cyclopropyl-4-(1-phenyltetrazol-5-yl)piperazine
CID 47453668
1-pentan-3-yl-4-(1-phenyltetrazol-5-yl)piperazine
CID 50965439
ethane;methane;tris(1-(1-phenyltetrazol-5-yl)-4-propan-2-ylpiperazine);tris(1,1,1-trideuterioethane)
CID 162039612
2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethanethioamide
CID 63337234
2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanoic acid
CID 119924398
(2R)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-2-ol
CID 133499657
2-methyl-8-nitro-4-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]quinoline
CID 133436597
8-methyl-3-[2-oxo-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethyl]quinazolin-4-one
CID 43073607
1-[1-(4-chlorophenyl)ethyl]-4-(1-phenyltetrazol-5-yl)piperazine
CID 133271987
N-(4-methylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine-1-carboxamide
CID 134790678
1-(2,3-dimethylphenyl)-4-[(R)-(4-methylphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]piperazine
CID 7388589

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine?
The IUPAC name of 1-(2,3-dimethylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine (CID 9311510) is 1-(2,3-dimethylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine is Cc1cccc(N2CCN(c3nnnn3-c3ccccc3)CC2)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine?
The InChIKey is FCMWIBLICYCPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6/c1-15-7-6-10-18(16(15)2)23-11-13-24(14-12-23)19-20-21-22-25(19)17-8-4-3-5-9-17/h3-10H,11-14H2,1-2H3.
What are the key properties of 1-(2,3-dimethylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine?
1-(2,3-dimethylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine has a molecular weight of 334.43 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine is sourced from PubChem (CID 9311510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).