N-[(2,4-dimethoxyphenyl)methyl]-1-propyltetrazol-5-amine

C13H19N5O2 — CID 4725814

IUPACN-[(2,4-dimethoxyphenyl)methyl]-1-propyltetrazol-5-amine
SMILESCCCn1nnnc1NCc1ccc(OC)cc1OC
InChIInChI=1S/C13H19N5O2/c1-4-7-18-13(15-16-17-18)14-9-10-5-6-11(19-2)8-12(10)20-3/h5-6,8H,4,7,9H2,1-3H3,(H,14,15,17)
InChIKeyVQPCZMULPAYNOR-UHFFFAOYSA-N
MW277.33 g/mol
LogP1.71
Rot. Bonds7

About N-[(2,4-dimethoxyphenyl)methyl]-1-propyltetrazol-5-amine

N-[(2,4-dimethoxyphenyl)methyl]-1-propyltetrazol-5-amine (PubChem CID 4725814) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-1-propyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-1-propyltetrazol-5-amine
PubChem CID4725814
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-1-propyltetrazol-5-amine
SMILESCCCn1nnnc1NCc1ccc(OC)cc1OC
InChIInChI=1S/C13H19N5O2/c1-4-7-18-13(15-16-17-18)14-9-10-5-6-11(19-2)8-12(10)20-3/h5-6,8H,4,7,9H2,1-3H3,(H,14,15,17)
InChIKeyVQPCZMULPAYNOR-UHFFFAOYSA-N
XLogP1.71
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
5-Methoxy-2-([1,2,4]triazol-4-ylaminomethyl)-phenol
CID 930948
N-[(2,3-dimethoxyphenyl)methyl]-1-propyltetrazol-5-amine
CID 4725752
N-[(2,4-dimethoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4727790
N-[(4-methoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4725806
1-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]tetrazol-5-amine
CID 4725816
N-[(2-ethoxyphenyl)methyl]-1-propyltetrazol-5-amine
CID 4727256
N-[(2-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4727595
1-butyl-N-[(3,4,5-trimethoxyphenyl)methyl]tetrazol-5-amine
CID 666461
1-butyl-N-(3,4-dimethoxybenzyl)-1H-tetrazol-5-amine
CID 1817983

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-propyltetrazol-5-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-propyltetrazol-5-amine (CID 4725814) is N-[(2,4-dimethoxyphenyl)methyl]-1-propyltetrazol-5-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-1-propyltetrazol-5-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-1-propyltetrazol-5-amine is CCCn1nnnc1NCc1ccc(OC)cc1OC.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-1-propyltetrazol-5-amine?
The InChIKey is VQPCZMULPAYNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-4-7-18-13(15-16-17-18)14-9-10-5-6-11(19-2)8-12(10)20-3/h5-6,8H,4,7,9H2,1-3H3,(H,14,15,17).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-1-propyltetrazol-5-amine?
N-[(2,4-dimethoxyphenyl)methyl]-1-propyltetrazol-5-amine has a molecular weight of 277.33 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-1-propyltetrazol-5-amine is sourced from PubChem (CID 4725814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).