N-[(3-methoxyphenyl)methyl]-1-propyltetrazol-5-amine

C12H17N5O — CID 4725755

IUPACN-[(3-methoxyphenyl)methyl]-1-propyltetrazol-5-amine
SMILESCCCn1nnnc1NCc1cccc(OC)c1
InChIInChI=1S/C12H17N5O/c1-3-7-17-12(14-15-16-17)13-9-10-5-4-6-11(8-10)18-2/h4-6,8H,3,7,9H2,1-2H3,(H,13,14,16)
InChIKeyFSGBTUVFBXATMG-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.70
Rot. Bonds6

About N-[(3-methoxyphenyl)methyl]-1-propyltetrazol-5-amine

N-[(3-methoxyphenyl)methyl]-1-propyltetrazol-5-amine (PubChem CID 4725755) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-1-propyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-1-propyltetrazol-5-amine
PubChem CID4725755
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC NameN-[(3-methoxyphenyl)methyl]-1-propyltetrazol-5-amine
SMILESCCCn1nnnc1NCc1cccc(OC)c1
InChIInChI=1S/C12H17N5O/c1-3-7-17-12(14-15-16-17)13-9-10-5-4-6-11(8-10)18-2/h4-6,8H,3,7,9H2,1-2H3,(H,13,14,16)
InChIKeyFSGBTUVFBXATMG-UHFFFAOYSA-N
XLogP1.70
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-methoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4725753
N-[(4-methoxyphenyl)methyl]-1-propyltetrazol-5-amine
CID 4725808
1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]tetrazol-5-amine
CID 4725810
N-[(4-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4727592
N-(2-ethoxy-3-methoxybenzyl)-1-methyl-1H-tetrazol-5-amine
CID 834552
1-ethyl-N-[(2-methoxy-1-naphthyl)methyl]-1H-tetrazol-5-amine
CID 834710
N-(1-ethyltetrazol-5-yl)-3-methoxybenzamide
CID 925659
N-[(2,3-dimethoxyphenyl)methyl]-1-propyltetrazol-5-amine
CID 4725752
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4725761
5,7-Bis(3-methoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 3823657
N-[(2-ethoxy-3-methoxyphenyl)methyl]-1-propyltetrazol-5-amine
CID 4725748
N-(2,3-dimethoxybenzyl)-1-methyl-1H-tetrazol-5-amine
CID 4725750

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-1-propyltetrazol-5-amine?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-1-propyltetrazol-5-amine (CID 4725755) is N-[(3-methoxyphenyl)methyl]-1-propyltetrazol-5-amine.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-1-propyltetrazol-5-amine?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-1-propyltetrazol-5-amine is CCCn1nnnc1NCc1cccc(OC)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-1-propyltetrazol-5-amine?
The InChIKey is FSGBTUVFBXATMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-3-7-17-12(14-15-16-17)13-9-10-5-4-6-11(8-10)18-2/h4-6,8H,3,7,9H2,1-2H3,(H,13,14,16).
What are the key properties of N-[(3-methoxyphenyl)methyl]-1-propyltetrazol-5-amine?
N-[(3-methoxyphenyl)methyl]-1-propyltetrazol-5-amine has a molecular weight of 247.30 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-1-propyltetrazol-5-amine is sourced from PubChem (CID 4725755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).