(2,5-dimethoxyphenyl)-(2H-tetrazol-5-yl)methanamine

C10H13N5O2 — CID 61149610

IUPAC(2,5-dimethoxyphenyl)-(2H-tetrazol-5-yl)methanamine
SMILESCOc1ccc(OC)c(C(N)c2nn[nH]n2)c1
InChIInChI=1S/C10H13N5O2/c1-16-6-3-4-8(17-2)7(5-6)9(11)10-12-14-15-13-10/h3-5,9H,11H2,1-2H3,(H,12,13,14,15)
InChIKeyLAUKVIMJZZUEPH-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.26
Rot. Bonds4

About (2,5-dimethoxyphenyl)-(2H-tetrazol-5-yl)methanamine

(2,5-dimethoxyphenyl)-(2H-tetrazol-5-yl)methanamine (PubChem CID 61149610) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)-(2H-tetrazol-5-yl)methanamine.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)-(2H-tetrazol-5-yl)methanamine
PubChem CID61149610
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name(2,5-dimethoxyphenyl)-(2H-tetrazol-5-yl)methanamine
SMILESCOc1ccc(OC)c(C(N)c2nn[nH]n2)c1
InChIInChI=1S/C10H13N5O2/c1-16-6-3-4-8(17-2)7(5-6)9(11)10-12-14-15-13-10/h3-5,9H,11H2,1-2H3,(H,12,13,14,15)
InChIKeyLAUKVIMJZZUEPH-UHFFFAOYSA-N
XLogP0.26
TPSA98.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2H-tetrazol-5-yl-(2,4,6-trimethoxyphenyl)methanamine
CID 61149467
(2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine
CID 43197203
(2,5-dimethoxyphenyl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine
CID 43559426
amino-(2,5-dimethoxyphenyl)methanol
CID 116939586
(2,5-dimethoxyphenyl)-(2-ethoxyphenyl)methanamine
CID 43197204
(2,5-dimethoxyphenyl)-(4-iodophenyl)methanamine
CID 43124868
(2-chlorophenyl)-(2,5-dimethoxyphenyl)methanamine
CID 43197194
1-(2,5-dimethoxyphenyl)-3-methoxypropan-1-amine
CID 62801010
4-(2,5-dimethoxyphenyl)pentan-2-amine
CID 64720069
(2,5-dimethoxyphenyl)-(5-methylpyrazin-2-yl)methanamine
CID 105145782
(2,5-dimethoxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanamine
CID 105145725
1-(2,5-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 86262898

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)-(2H-tetrazol-5-yl)methanamine?
The IUPAC name of (2,5-dimethoxyphenyl)-(2H-tetrazol-5-yl)methanamine (CID 61149610) is (2,5-dimethoxyphenyl)-(2H-tetrazol-5-yl)methanamine.
What is the SMILES notation for (2,5-dimethoxyphenyl)-(2H-tetrazol-5-yl)methanamine?
The canonical SMILES for (2,5-dimethoxyphenyl)-(2H-tetrazol-5-yl)methanamine is COc1ccc(OC)c(C(N)c2nn[nH]n2)c1.
What is the InChIKey of (2,5-dimethoxyphenyl)-(2H-tetrazol-5-yl)methanamine?
The InChIKey is LAUKVIMJZZUEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-16-6-3-4-8(17-2)7(5-6)9(11)10-12-14-15-13-10/h3-5,9H,11H2,1-2H3,(H,12,13,14,15).
What are the key properties of (2,5-dimethoxyphenyl)-(2H-tetrazol-5-yl)methanamine?
(2,5-dimethoxyphenyl)-(2H-tetrazol-5-yl)methanamine has a molecular weight of 235.25 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)-(2H-tetrazol-5-yl)methanamine is sourced from PubChem (CID 61149610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).