8-methoxy-4-[1-(1H-pyrazol-5-ylmethyl)triazol-4-yl]quinazolin-2-amine

C15H14N8O — CID 135382318

IUPAC8-methoxy-4-[1-(1H-pyrazol-5-ylmethyl)triazol-4-yl]quinazolin-2-amine
SMILESCOc1cccc2c(-c3cn(Cc4ccn[nH]4)nn3)nc(N)nc12
InChIInChI=1S/C15H14N8O/c1-24-12-4-2-3-10-13(18-15(16)19-14(10)12)11-8-23(22-21-11)7-9-5-6-17-20-9/h2-6,8H,7H2,1H3,(H,17,20)(H2,16,18,19)
InChIKeyJDPPQSNQIOUNBJ-UHFFFAOYSA-N
MW322.33 g/mol
LogP1.25
Rot. Bonds4

About 8-methoxy-4-[1-(1H-pyrazol-5-ylmethyl)triazol-4-yl]quinazolin-2-amine

8-methoxy-4-[1-(1H-pyrazol-5-ylmethyl)triazol-4-yl]quinazolin-2-amine (PubChem CID 135382318) has the molecular formula C15H14N8O and a molecular weight of 322.33 g/mol. Its IUPAC name is 8-methoxy-4-[1-(1H-pyrazol-5-ylmethyl)triazol-4-yl]quinazolin-2-amine.

Molecular Properties

Compound Name8-methoxy-4-[1-(1H-pyrazol-5-ylmethyl)triazol-4-yl]quinazolin-2-amine
PubChem CID135382318
Molecular FormulaC15H14N8O
Molecular Weight322.33 g/mol
Exact Mass322.13
IUPAC Name8-methoxy-4-[1-(1H-pyrazol-5-ylmethyl)triazol-4-yl]quinazolin-2-amine
SMILESCOc1cccc2c(-c3cn(Cc4ccn[nH]4)nn3)nc(N)nc12
InChIInChI=1S/C15H14N8O/c1-24-12-4-2-3-10-13(18-15(16)19-14(10)12)11-8-23(22-21-11)7-9-5-6-17-20-9/h2-6,8H,7H2,1H3,(H,17,20)(H2,16,18,19)
InChIKeyJDPPQSNQIOUNBJ-UHFFFAOYSA-N
XLogP1.25
TPSA120.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-[[4-(2-amino-8-methoxyquinazolin-4-yl)triazol-1-yl]methyl]-1-ethylpyridin-2-one
CID 146327370
8-methoxy-4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]quinazolin-2-amine;oxolane
CID 142468444
4-[1-[[1-hydroxy-6-(2-methylbutan-2-yl)pyridin-1-ium-2-yl]methyl]triazol-4-yl]-8-methoxyquinazolin-2-amine
CID 159766753
3-[[4-(2-amino-8-methoxyquinazolin-4-yl)triazol-1-yl]methyl]-1-(1-methoxypropan-2-yl)pyridin-2-one
CID 146327501
(2S)-2-[6-[[4-(2-amino-8-methoxyquinazolin-4-yl)triazol-1-yl]methyl]-1-oxidopyridin-1-ium-2-yl]-1,1,1-trifluoropropan-2-ol
CID 146423025
3-[[4-(2-amino-8-methoxyquinazolin-4-yl)triazol-1-yl]methyl]-1-[1-(1-hydroxycycloprop-2-en-1-yl)ethyl]pyridin-2-one
CID 146327496
2-[[4-(2-amino-8-methoxyquinazolin-4-yl)triazol-1-yl]methyl]-6-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]pyridin-1-ium-1-carboxylic acid
CID 169085458
3-[[4-(2-amino-8-methoxyquinazolin-4-yl)triazol-1-yl]methyl]-1-[(2S)-3-hydroxy-3-methylhexan-2-yl]pyridin-2-one
CID 146327290
2-[[4-(2-amino-8-methoxyquinazolin-4-yl)triazol-1-yl]methyl]-6-(1,1,3-trifluoro-2-hydroxypropan-2-yl)pyridin-1-ium-1-carboxylate
CID 175404091
3-[[4-(2-amino-8-methoxyquinazolin-4-yl)triazol-1-yl]methyl]-1-[(3R)-1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-3-yl]pyridin-2-one
CID 146327389
3-[4-amino-5-fluoro-6-[1-(1H-pyrazol-5-ylmethyl)triazol-4-yl]pyrimidin-2-yl]-2-methylbenzonitrile
CID 168728338
4-ethyl-8-methoxyquinazolin-2-amine
CID 105455342

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-4-[1-(1H-pyrazol-5-ylmethyl)triazol-4-yl]quinazolin-2-amine?
The IUPAC name of 8-methoxy-4-[1-(1H-pyrazol-5-ylmethyl)triazol-4-yl]quinazolin-2-amine (CID 135382318) is 8-methoxy-4-[1-(1H-pyrazol-5-ylmethyl)triazol-4-yl]quinazolin-2-amine.
What is the SMILES notation for 8-methoxy-4-[1-(1H-pyrazol-5-ylmethyl)triazol-4-yl]quinazolin-2-amine?
The canonical SMILES for 8-methoxy-4-[1-(1H-pyrazol-5-ylmethyl)triazol-4-yl]quinazolin-2-amine is COc1cccc2c(-c3cn(Cc4ccn[nH]4)nn3)nc(N)nc12.
What is the InChIKey of 8-methoxy-4-[1-(1H-pyrazol-5-ylmethyl)triazol-4-yl]quinazolin-2-amine?
The InChIKey is JDPPQSNQIOUNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N8O/c1-24-12-4-2-3-10-13(18-15(16)19-14(10)12)11-8-23(22-21-11)7-9-5-6-17-20-9/h2-6,8H,7H2,1H3,(H,17,20)(H2,16,18,19).
What are the key properties of 8-methoxy-4-[1-(1H-pyrazol-5-ylmethyl)triazol-4-yl]quinazolin-2-amine?
8-methoxy-4-[1-(1H-pyrazol-5-ylmethyl)triazol-4-yl]quinazolin-2-amine has a molecular weight of 322.33 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-4-[1-(1H-pyrazol-5-ylmethyl)triazol-4-yl]quinazolin-2-amine is sourced from PubChem (CID 135382318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).