1-[[2-(2-methoxyphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methyl]tetrazol-5-amine

C14H18N8O — CID 50957780

IUPAC1-[[2-(2-methoxyphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methyl]tetrazol-5-amine
SMILESCOc1ccccc1-n1nc(C(C)C)nc1Cn1nnnc1N
InChIInChI=1S/C14H18N8O/c1-9(2)13-16-12(8-21-14(15)17-19-20-21)22(18-13)10-6-4-5-7-11(10)23-3/h4-7,9H,8H2,1-3H3,(H2,15,17,20)
InChIKeyWNHCOVJMLZMCKE-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.02
Rot. Bonds5

About 1-[[2-(2-methoxyphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methyl]tetrazol-5-amine

1-[[2-(2-methoxyphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methyl]tetrazol-5-amine (PubChem CID 50957780) has the molecular formula C14H18N8O and a molecular weight of 314.35 g/mol. Its IUPAC name is 1-[[2-(2-methoxyphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methyl]tetrazol-5-amine.

Molecular Properties

Compound Name1-[[2-(2-methoxyphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methyl]tetrazol-5-amine
PubChem CID50957780
Molecular FormulaC14H18N8O
Molecular Weight314.35 g/mol
Exact Mass314.16
IUPAC Name1-[[2-(2-methoxyphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methyl]tetrazol-5-amine
SMILESCOc1ccccc1-n1nc(C(C)C)nc1Cn1nnnc1N
InChIInChI=1S/C14H18N8O/c1-9(2)13-16-12(8-21-14(15)17-19-20-21)22(18-13)10-6-4-5-7-11(10)23-3/h4-7,9H,8H2,1-3H3,(H2,15,17,20)
InChIKeyWNHCOVJMLZMCKE-UHFFFAOYSA-N
XLogP1.02
TPSA109.56 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-methoxyphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methyl]tetrazol-5-amine?
The IUPAC name of 1-[[2-(2-methoxyphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methyl]tetrazol-5-amine (CID 50957780) is 1-[[2-(2-methoxyphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methyl]tetrazol-5-amine.
What is the SMILES notation for 1-[[2-(2-methoxyphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methyl]tetrazol-5-amine?
The canonical SMILES for 1-[[2-(2-methoxyphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methyl]tetrazol-5-amine is COc1ccccc1-n1nc(C(C)C)nc1Cn1nnnc1N.
What is the InChIKey of 1-[[2-(2-methoxyphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methyl]tetrazol-5-amine?
The InChIKey is WNHCOVJMLZMCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N8O/c1-9(2)13-16-12(8-21-14(15)17-19-20-21)22(18-13)10-6-4-5-7-11(10)23-3/h4-7,9H,8H2,1-3H3,(H2,15,17,20).
What are the key properties of 1-[[2-(2-methoxyphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methyl]tetrazol-5-amine?
1-[[2-(2-methoxyphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methyl]tetrazol-5-amine has a molecular weight of 314.35 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-methoxyphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methyl]tetrazol-5-amine is sourced from PubChem (CID 50957780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).