1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-methylpiperazine;deuteriomethane

C20H27N7 — CID 167557248

IUPAC1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-methylpiperazine;deuteriomethane
SMILESCN1CCN(C(c2cccnc2)c2nnnn2Cc2ccccc2)CC1.[2H]C
InChIInChI=1S/C19H23N7.CH4/c1-24-10-12-25(13-11-24)18(17-8-5-9-20-14-17)19-21-22-23-26(19)15-16-6-3-2-4-7-16;/h2-9,14,18H,10-13,15H2,1H3;1H4/i;1D
InChIKeyDEAMQEXKDGCIMP-DIYDOPDJSA-N
MW366.49 g/mol
LogP2.09
Rot. Bonds5

About 1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-methylpiperazine;deuteriomethane

1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-methylpiperazine;deuteriomethane (PubChem CID 167557248) has the molecular formula C20H27N7 and a molecular weight of 366.49 g/mol. Its IUPAC name is 1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-methylpiperazine;deuteriomethane.

Molecular Properties

Compound Name1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-methylpiperazine;deuteriomethane
PubChem CID167557248
Molecular FormulaC20H27N7
Molecular Weight366.49 g/mol
Exact Mass366.24
IUPAC Name1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-methylpiperazine;deuteriomethane
SMILESCN1CCN(C(c2cccnc2)c2nnnn2Cc2ccccc2)CC1.[2H]C
InChIInChI=1S/C19H23N7.CH4/c1-24-10-12-25(13-11-24)18(17-8-5-9-20-14-17)19-21-22-23-26(19)15-16-6-3-2-4-7-16;/h2-9,14,18H,10-13,15H2,1H3;1H4/i;1D
InChIKeyDEAMQEXKDGCIMP-DIYDOPDJSA-N
XLogP2.09
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl 4-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]piperazine-1-carboxylate;methane
CID 167645921
1-[(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-cyclohexylpiperazine;1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-cyclohexylpiperazine;1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-methylpiperazine;1-cyclohexyl-4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;methane;1-methyl-4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine
CID 167687220
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
ethyl 1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]piperidine-4-carboxylate
CID 3229294
1-[(R)-(1-benzyltetrazol-5-yl)-phenylmethyl]-4-(pyridin-4-ylmethyl)piperazine
CID 1446160
4-[[1-(2-phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]morpholine
CID 3229139
1-[(R)-(1-benzyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-methylpiperazine
CID 1446292
3-[(R)-(4-benzylpiperidin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]pyridine
CID 1435783
4-[(1-benzyltetrazol-5-yl)-pyridin-4-ylmethyl]morpholine
CID 648580
1-[(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine;hydrochloride
CID 171668058
(6S)-7-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-2-azabicyclo[4.1.0]hepta-1(7),2,4-triene
CID 155583019

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-methylpiperazine;deuteriomethane?
The IUPAC name of 1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-methylpiperazine;deuteriomethane (CID 167557248) is 1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-methylpiperazine;deuteriomethane.
What is the SMILES notation for 1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-methylpiperazine;deuteriomethane?
The canonical SMILES for 1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-methylpiperazine;deuteriomethane is CN1CCN(C(c2cccnc2)c2nnnn2Cc2ccccc2)CC1.[2H]C.
What is the InChIKey of 1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-methylpiperazine;deuteriomethane?
The InChIKey is DEAMQEXKDGCIMP-DIYDOPDJSA-N. The full InChI is InChI=1S/C19H23N7.CH4/c1-24-10-12-25(13-11-24)18(17-8-5-9-20-14-17)19-21-22-23-26(19)15-16-6-3-2-4-7-16;/h2-9,14,18H,10-13,15H2,1H3;1H4/i;1D.
What are the key properties of 1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-methylpiperazine;deuteriomethane?
1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-methylpiperazine;deuteriomethane has a molecular weight of 366.49 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-methylpiperazine;deuteriomethane is sourced from PubChem (CID 167557248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).