1-(1-methoxybutan-2-yl)-N-(4-(111C)methoxy-2-methylphenyl)-6-methyltriazolo[4,5-c]pyridin-4-amine

C19H25N5O2 — CID 71453426

IUPAC1-(1-methoxybutan-2-yl)-N-(4-(111C)methoxy-2-methylphenyl)-6-methyltriazolo[4,5-c]pyridin-4-amine
SMILESCCC(COC)n1nnc2c(Nc3ccc(O[11CH3])cc3C)nc(C)cc21
InChIInChI=1S/C19H25N5O2/c1-6-14(11-25-4)24-17-10-13(3)20-19(18(17)22-23-24)21-16-8-7-15(26-5)9-12(16)2/h7-10,14H,6,11H2,1-5H3,(H,20,21)/i5-1
InChIKeyFZMBHAQCHCEGNN-SFIIULIVSA-N
MW354.44 g/mol
LogP3.79
Rot. Bonds7

About 1-(1-methoxybutan-2-yl)-N-(4-(111C)methoxy-2-methylphenyl)-6-methyltriazolo[4,5-c]pyridin-4-amine

1-(1-methoxybutan-2-yl)-N-(4-(111C)methoxy-2-methylphenyl)-6-methyltriazolo[4,5-c]pyridin-4-amine (PubChem CID 71453426) has the molecular formula C19H25N5O2 and a molecular weight of 354.44 g/mol. Its IUPAC name is 1-(1-methoxybutan-2-yl)-N-(4-(111C)methoxy-2-methylphenyl)-6-methyltriazolo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name1-(1-methoxybutan-2-yl)-N-(4-(111C)methoxy-2-methylphenyl)-6-methyltriazolo[4,5-c]pyridin-4-amine
PubChem CID71453426
Molecular FormulaC19H25N5O2
Molecular Weight354.44 g/mol
Exact Mass354.21
IUPAC Name1-(1-methoxybutan-2-yl)-N-(4-(111C)methoxy-2-methylphenyl)-6-methyltriazolo[4,5-c]pyridin-4-amine
SMILESCCC(COC)n1nnc2c(Nc3ccc(O[11CH3])cc3C)nc(C)cc21
InChIInChI=1S/C19H25N5O2/c1-6-14(11-25-4)24-17-10-13(3)20-19(18(17)22-23-24)21-16-8-7-15(26-5)9-12(16)2/h7-10,14H,6,11H2,1-5H3,(H,20,21)/i5-1
InChIKeyFZMBHAQCHCEGNN-SFIIULIVSA-N
XLogP3.79
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxybutan-2-yl)-N-(4-(111C)methoxy-2-methylphenyl)-6-methyltriazolo[4,5-c]pyridin-4-amine?
The IUPAC name of 1-(1-methoxybutan-2-yl)-N-(4-(111C)methoxy-2-methylphenyl)-6-methyltriazolo[4,5-c]pyridin-4-amine (CID 71453426) is 1-(1-methoxybutan-2-yl)-N-(4-(111C)methoxy-2-methylphenyl)-6-methyltriazolo[4,5-c]pyridin-4-amine.
What is the SMILES notation for 1-(1-methoxybutan-2-yl)-N-(4-(111C)methoxy-2-methylphenyl)-6-methyltriazolo[4,5-c]pyridin-4-amine?
The canonical SMILES for 1-(1-methoxybutan-2-yl)-N-(4-(111C)methoxy-2-methylphenyl)-6-methyltriazolo[4,5-c]pyridin-4-amine is CCC(COC)n1nnc2c(Nc3ccc(O[11CH3])cc3C)nc(C)cc21.
What is the InChIKey of 1-(1-methoxybutan-2-yl)-N-(4-(111C)methoxy-2-methylphenyl)-6-methyltriazolo[4,5-c]pyridin-4-amine?
The InChIKey is FZMBHAQCHCEGNN-SFIIULIVSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-6-14(11-25-4)24-17-10-13(3)20-19(18(17)22-23-24)21-16-8-7-15(26-5)9-12(16)2/h7-10,14H,6,11H2,1-5H3,(H,20,21)/i5-1.
What are the key properties of 1-(1-methoxybutan-2-yl)-N-(4-(111C)methoxy-2-methylphenyl)-6-methyltriazolo[4,5-c]pyridin-4-amine?
1-(1-methoxybutan-2-yl)-N-(4-(111C)methoxy-2-methylphenyl)-6-methyltriazolo[4,5-c]pyridin-4-amine has a molecular weight of 354.44 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxybutan-2-yl)-N-(4-(111C)methoxy-2-methylphenyl)-6-methyltriazolo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 71453426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).