(4-methyl-1,4-diazepan-1-yl)-[3-(5-methyltetrazol-1-yl)phenyl]methanone

C15H20N6O — CID 71709137

IUPAC(4-methyl-1,4-diazepan-1-yl)-[3-(5-methyltetrazol-1-yl)phenyl]methanone
SMILESCc1nnnn1-c1cccc(C(=O)N2CCCN(C)CC2)c1
InChIInChI=1S/C15H20N6O/c1-12-16-17-18-21(12)14-6-3-5-13(11-14)15(22)20-8-4-7-19(2)9-10-20/h3,5-6,11H,4,7-10H2,1-2H3
InChIKeyFPIOPBWVOZPNKE-UHFFFAOYSA-N
MW300.37 g/mol
LogP0.75
Rot. Bonds2

About (4-methyl-1,4-diazepan-1-yl)-[3-(5-methyltetrazol-1-yl)phenyl]methanone

(4-methyl-1,4-diazepan-1-yl)-[3-(5-methyltetrazol-1-yl)phenyl]methanone (PubChem CID 71709137) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is (4-methyl-1,4-diazepan-1-yl)-[3-(5-methyltetrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name(4-methyl-1,4-diazepan-1-yl)-[3-(5-methyltetrazol-1-yl)phenyl]methanone
PubChem CID71709137
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name(4-methyl-1,4-diazepan-1-yl)-[3-(5-methyltetrazol-1-yl)phenyl]methanone
SMILESCc1nnnn1-c1cccc(C(=O)N2CCCN(C)CC2)c1
InChIInChI=1S/C15H20N6O/c1-12-16-17-18-21(12)14-6-3-5-13(11-14)15(22)20-8-4-7-19(2)9-10-20/h3,5-6,11H,4,7-10H2,1-2H3
InChIKeyFPIOPBWVOZPNKE-UHFFFAOYSA-N
XLogP0.75
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(5-methyltetrazol-1-yl)phenyl]-morpholin-4-ylmethanone
CID 56763218
[3-(5-methyltetrazol-1-yl)phenyl]-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97118767
(5R)-9-[3-(5-methyltetrazol-1-yl)benzoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95719140
[3-(5-methyltetrazol-1-yl)phenyl]-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
CID 97281209
[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[3-(5-methyltetrazol-1-yl)phenyl]methanone
CID 99930369
[(2S)-2-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-1-yl]-[3-(5-methyltetrazol-1-yl)phenyl]methanone
CID 92614139
methyl 3-(4-methyl-1,4-diazepane-1-carbonyl)benzoate
CID 78884953
[3-[3,5-bis[3-(4-methylpiperazine-1-carbonyl)phenyl]pyrazol-1-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 174683882
(3-methylphenyl)-[4-[(1-phenyltetrazol-5-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 37085029
[3-(aminomethyl)phenyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 28744968
(3,4-dichlorophenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 17163669
[(6aS,9aR)-2-methyl-5,6,6a,7,9,9a-hexahydropyrrolo[3,4-h]quinazolin-8-yl]-[3-(5-methyltetrazol-1-yl)phenyl]methanone
CID 95802973

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,4-diazepan-1-yl)-[3-(5-methyltetrazol-1-yl)phenyl]methanone?
The IUPAC name of (4-methyl-1,4-diazepan-1-yl)-[3-(5-methyltetrazol-1-yl)phenyl]methanone (CID 71709137) is (4-methyl-1,4-diazepan-1-yl)-[3-(5-methyltetrazol-1-yl)phenyl]methanone.
What is the SMILES notation for (4-methyl-1,4-diazepan-1-yl)-[3-(5-methyltetrazol-1-yl)phenyl]methanone?
The canonical SMILES for (4-methyl-1,4-diazepan-1-yl)-[3-(5-methyltetrazol-1-yl)phenyl]methanone is Cc1nnnn1-c1cccc(C(=O)N2CCCN(C)CC2)c1.
What is the InChIKey of (4-methyl-1,4-diazepan-1-yl)-[3-(5-methyltetrazol-1-yl)phenyl]methanone?
The InChIKey is FPIOPBWVOZPNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-12-16-17-18-21(12)14-6-3-5-13(11-14)15(22)20-8-4-7-19(2)9-10-20/h3,5-6,11H,4,7-10H2,1-2H3.
What are the key properties of (4-methyl-1,4-diazepan-1-yl)-[3-(5-methyltetrazol-1-yl)phenyl]methanone?
(4-methyl-1,4-diazepan-1-yl)-[3-(5-methyltetrazol-1-yl)phenyl]methanone has a molecular weight of 300.37 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,4-diazepan-1-yl)-[3-(5-methyltetrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 71709137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).