(6S)-7-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-2-azabicyclo[4.1.0]hepta-1(7),2,4-triene

C20H23N7 — CID 155583019

IUPAC(6S)-7-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-2-azabicyclo[4.1.0]hepta-1(7),2,4-triene
SMILESCN1CCN(C(C2=C3N=CC=C[C@H]32)c2nnnn2Cc2ccccc2)CC1
InChIInChI=1S/C20H23N7/c1-25-10-12-26(13-11-25)19(17-16-8-5-9-21-18(16)17)20-22-23-24-27(20)14-15-6-3-2-4-7-15/h2-9,16,19H,10-14H2,1H3/t16-,19?/m0/s1
InChIKeyFWVZVOQRYRFHHK-UCFFOFKASA-N
MW361.45 g/mol
LogP1.53
Rot. Bonds5

About (6S)-7-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-2-azabicyclo[4.1.0]hepta-1(7),2,4-triene

(6S)-7-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-2-azabicyclo[4.1.0]hepta-1(7),2,4-triene (PubChem CID 155583019) has the molecular formula C20H23N7 and a molecular weight of 361.45 g/mol. Its IUPAC name is (6S)-7-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-2-azabicyclo[4.1.0]hepta-1(7),2,4-triene.

Molecular Properties

Compound Name(6S)-7-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-2-azabicyclo[4.1.0]hepta-1(7),2,4-triene
PubChem CID155583019
Molecular FormulaC20H23N7
Molecular Weight361.45 g/mol
Exact Mass361.20
IUPAC Name(6S)-7-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-2-azabicyclo[4.1.0]hepta-1(7),2,4-triene
SMILESCN1CCN(C(C2=C3N=CC=C[C@H]32)c2nnnn2Cc2ccccc2)CC1
InChIInChI=1S/C20H23N7/c1-25-10-12-26(13-11-25)19(17-16-8-5-9-21-18(16)17)20-22-23-24-27(20)14-15-6-3-2-4-7-15/h2-9,16,19H,10-14H2,1H3/t16-,19?/m0/s1
InChIKeyFWVZVOQRYRFHHK-UCFFOFKASA-N
XLogP1.53
TPSA62.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (6S)-7-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-2-azabicyclo[4.1.0]hepta-1(7),2,4-triene with MolForge

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Related Compounds

1-[(R)-(1-benzyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-methylpiperazine
CID 1446292
1-[(S)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine
CID 1433889
1-[(R)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine
CID 1433890
1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-methylpiperazine;deuteriomethane
CID 167557248
1-[(2-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperazine
CID 3209891
1-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(2-methoxyphenyl)methyl]-4-methylpiperazine
CID 1446661
1-[(R)-(2-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine
CID 1449183
1-[(R)-(1-benzyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-ethylpiperazine
CID 51685867
3-[(R)-(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-6-ethyl-1H-quinolin-2-one
CID 1148327
1-[(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine;hydrochloride
CID 171668058
1-benzyl-4-[(1-benzyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperazine
CID 3209730
3-[(R)-(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 1145614

Frequently Asked Questions

What is the IUPAC name of (6S)-7-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-2-azabicyclo[4.1.0]hepta-1(7),2,4-triene?
The IUPAC name of (6S)-7-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-2-azabicyclo[4.1.0]hepta-1(7),2,4-triene (CID 155583019) is (6S)-7-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-2-azabicyclo[4.1.0]hepta-1(7),2,4-triene.
What is the SMILES notation for (6S)-7-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-2-azabicyclo[4.1.0]hepta-1(7),2,4-triene?
The canonical SMILES for (6S)-7-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-2-azabicyclo[4.1.0]hepta-1(7),2,4-triene is CN1CCN(C(C2=C3N=CC=C[C@H]32)c2nnnn2Cc2ccccc2)CC1.
What is the InChIKey of (6S)-7-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-2-azabicyclo[4.1.0]hepta-1(7),2,4-triene?
The InChIKey is FWVZVOQRYRFHHK-UCFFOFKASA-N. The full InChI is InChI=1S/C20H23N7/c1-25-10-12-26(13-11-25)19(17-16-8-5-9-21-18(16)17)20-22-23-24-27(20)14-15-6-3-2-4-7-15/h2-9,16,19H,10-14H2,1H3/t16-,19?/m0/s1.
What are the key properties of (6S)-7-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-2-azabicyclo[4.1.0]hepta-1(7),2,4-triene?
(6S)-7-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-2-azabicyclo[4.1.0]hepta-1(7),2,4-triene has a molecular weight of 361.45 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-7-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-2-azabicyclo[4.1.0]hepta-1(7),2,4-triene is sourced from PubChem (CID 155583019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).