3-[[6-(methoxymethyl)-2-pyridinyl]methyl]-7-phenyltriazolo[4,5-d]pyrimidin-5-amine

C18H17N7O — CID 44554660

IUPAC3-[[6-(methoxymethyl)-2-pyridinyl]methyl]-7-phenyltriazolo[4,5-d]pyrimidin-5-amine
SMILESCOCc1cccc(Cn2nnc3c(-c4ccccc4)nc(N)nc32)n1
InChIInChI=1S/C18H17N7O/c1-26-11-14-9-5-8-13(20-14)10-25-17-16(23-24-25)15(21-18(19)22-17)12-6-3-2-4-7-12/h2-9H,10-11H2,1H3,(H2,19,21,22)
InChIKeyLZJBVOMKJQWHML-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.06
Rot. Bonds5

About 3-[[6-(methoxymethyl)-2-pyridinyl]methyl]-7-phenyltriazolo[4,5-d]pyrimidin-5-amine

3-[[6-(methoxymethyl)-2-pyridinyl]methyl]-7-phenyltriazolo[4,5-d]pyrimidin-5-amine (PubChem CID 44554660) has the molecular formula C18H17N7O and a molecular weight of 347.38 g/mol. Its IUPAC name is 3-[[6-(methoxymethyl)-2-pyridinyl]methyl]-7-phenyltriazolo[4,5-d]pyrimidin-5-amine.

Molecular Properties

Compound Name3-[[6-(methoxymethyl)-2-pyridinyl]methyl]-7-phenyltriazolo[4,5-d]pyrimidin-5-amine
PubChem CID44554660
Molecular FormulaC18H17N7O
Molecular Weight347.38 g/mol
Exact Mass347.15
IUPAC Name3-[[6-(methoxymethyl)-2-pyridinyl]methyl]-7-phenyltriazolo[4,5-d]pyrimidin-5-amine
SMILESCOCc1cccc(Cn2nnc3c(-c4ccccc4)nc(N)nc32)n1
InChIInChI=1S/C18H17N7O/c1-26-11-14-9-5-8-13(20-14)10-25-17-16(23-24-25)15(21-18(19)22-17)12-6-3-2-4-7-12/h2-9H,10-11H2,1H3,(H2,19,21,22)
InChIKeyLZJBVOMKJQWHML-UHFFFAOYSA-N
XLogP2.06
TPSA104.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-[[6-(methoxymethyl)-2-pyridinyl]methyl]-7-phenyltriazolo[4,5-d]pyrimidine
CID 141369684
2-[6-[(5-amino-7-phenyltriazolo[4,5-d]pyrimidin-3-yl)methyl]-2-pyridinyl]propan-2-ol
CID 44554657
7-(5-methylfuran-2-yl)-3-[[6-[[(3R)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine
CID 129314427
7-(5-methylfuran-2-yl)-3-[[6-(oxolan-3-yloxymethyl)-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine
CID 75044657
3-[5-amino-3-[[6-(1-hydroxycyclopentyl)-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-7-yl]benzonitrile
CID 44555318
3-[5-amino-3-[[6-(4-hydroxyoxan-4-yl)-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-7-yl]benzonitrile
CID 44554995
7-bromo-4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]thieno[3,2-d]pyrimidin-2-amine
CID 164855127
1-[6-[[5-amino-7-(5-methylfuran-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-2-pyridinyl]cyclobutan-1-ol
CID 44554482
8-methoxy-4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]quinazolin-2-amine;oxolane
CID 142468444
5-tert-butyl-3-[(2-chlorophenyl)methyl]-7-phenyltriazolo[4,5-d]pyrimidine
CID 121320487
4-(2-ethylphenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine
CID 164954782
[3-[[5-amino-7-(5-methylfuran-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]phenyl]sulfamic acid
CID 25026124

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(methoxymethyl)-2-pyridinyl]methyl]-7-phenyltriazolo[4,5-d]pyrimidin-5-amine?
The IUPAC name of 3-[[6-(methoxymethyl)-2-pyridinyl]methyl]-7-phenyltriazolo[4,5-d]pyrimidin-5-amine (CID 44554660) is 3-[[6-(methoxymethyl)-2-pyridinyl]methyl]-7-phenyltriazolo[4,5-d]pyrimidin-5-amine.
What is the SMILES notation for 3-[[6-(methoxymethyl)-2-pyridinyl]methyl]-7-phenyltriazolo[4,5-d]pyrimidin-5-amine?
The canonical SMILES for 3-[[6-(methoxymethyl)-2-pyridinyl]methyl]-7-phenyltriazolo[4,5-d]pyrimidin-5-amine is COCc1cccc(Cn2nnc3c(-c4ccccc4)nc(N)nc32)n1.
What is the InChIKey of 3-[[6-(methoxymethyl)-2-pyridinyl]methyl]-7-phenyltriazolo[4,5-d]pyrimidin-5-amine?
The InChIKey is LZJBVOMKJQWHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O/c1-26-11-14-9-5-8-13(20-14)10-25-17-16(23-24-25)15(21-18(19)22-17)12-6-3-2-4-7-12/h2-9H,10-11H2,1H3,(H2,19,21,22).
What are the key properties of 3-[[6-(methoxymethyl)-2-pyridinyl]methyl]-7-phenyltriazolo[4,5-d]pyrimidin-5-amine?
3-[[6-(methoxymethyl)-2-pyridinyl]methyl]-7-phenyltriazolo[4,5-d]pyrimidin-5-amine has a molecular weight of 347.38 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(methoxymethyl)-2-pyridinyl]methyl]-7-phenyltriazolo[4,5-d]pyrimidin-5-amine is sourced from PubChem (CID 44554660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).