N-[(5-bromo-2-methoxyphenyl)methyl]-1-propyltetrazol-5-amine

C12H16BrN5O — CID 3158529

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-1-propyltetrazol-5-amine
SMILESCCCn1nnnc1NCc1cc(Br)ccc1OC
InChIInChI=1S/C12H16BrN5O/c1-3-6-18-12(15-16-17-18)14-8-9-7-10(13)4-5-11(9)19-2/h4-5,7H,3,6,8H2,1-2H3,(H,14,15,17)
InChIKeyLVCDFUCXLHVNOK-UHFFFAOYSA-N
MW326.20 g/mol
LogP2.47
Rot. Bonds6

About N-[(5-bromo-2-methoxyphenyl)methyl]-1-propyltetrazol-5-amine

N-[(5-bromo-2-methoxyphenyl)methyl]-1-propyltetrazol-5-amine (PubChem CID 3158529) has the molecular formula C12H16BrN5O and a molecular weight of 326.20 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-1-propyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-1-propyltetrazol-5-amine
PubChem CID3158529
Molecular FormulaC12H16BrN5O
Molecular Weight326.20 g/mol
Exact Mass325.05
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-1-propyltetrazol-5-amine
SMILESCCCn1nnnc1NCc1cc(Br)ccc1OC
InChIInChI=1S/C12H16BrN5O/c1-3-6-18-12(15-16-17-18)14-8-9-7-10(13)4-5-11(9)19-2/h4-5,7H,3,6,8H2,1-2H3,(H,14,15,17)
InChIKeyLVCDFUCXLHVNOK-UHFFFAOYSA-N
XLogP2.47
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methoxyphenyl)methyl]-1-propyltetrazol-5-amine
CID 4725808
N-[(2-ethoxyphenyl)methyl]-1-propyltetrazol-5-amine
CID 4727256
N-[(2-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4727595
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine;hydrochloride
CID 2997204
N-[(3-methoxyphenyl)methyl]-1-propyltetrazol-5-amine
CID 4725755
5-bromo-2-methoxy-N-(1-propyl-1H-tetrazol-5-yl)benzamide
CID 892036
N-{5-bromo-2-[(2-fluorobenzyl)oxy]benzyl}-2-methyl-2H-tetrazol-5-amine
CID 1017082
N-[2-(benzyloxy)-5-bromobenzyl]-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine
CID 15943348
N-(3,5-dibromo-2-methoxybenzyl)-2-ethyl-2H-tetrazol-5-amine
CID 39860663
N-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-methyltetrazol-5-amine
CID 1288305
7-[5-Bromo-2-(difluoromethoxy)phenyl]-5-(4-fluorophenyl)-4H,7H-[1,2,3,4]tetrazolo[1,5-A]pyrimidine
CID 4172577
7-[5-Bromo-2-(difluoromethoxy)phenyl]-5-(4-methylphenyl)-4H,7H-[1,2,3,4]tetrazolo[1,5-A]pyrimidine
CID 4172581

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-1-propyltetrazol-5-amine?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-1-propyltetrazol-5-amine (CID 3158529) is N-[(5-bromo-2-methoxyphenyl)methyl]-1-propyltetrazol-5-amine.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-1-propyltetrazol-5-amine?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-1-propyltetrazol-5-amine is CCCn1nnnc1NCc1cc(Br)ccc1OC.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-1-propyltetrazol-5-amine?
The InChIKey is LVCDFUCXLHVNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5O/c1-3-6-18-12(15-16-17-18)14-8-9-7-10(13)4-5-11(9)19-2/h4-5,7H,3,6,8H2,1-2H3,(H,14,15,17).
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-1-propyltetrazol-5-amine?
N-[(5-bromo-2-methoxyphenyl)methyl]-1-propyltetrazol-5-amine has a molecular weight of 326.20 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-1-propyltetrazol-5-amine is sourced from PubChem (CID 3158529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).