N-butyl-8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine

C21H30N6O — CID 42618235

IUPACN-butyl-8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCCCN(CCC)c1nc(C)nc2c(-c3ccc(OC)nc3C)c(C)nn12
InChIInChI=1S/C21H30N6O/c1-7-9-13-26(12-8-2)21-24-16(5)23-20-19(15(4)25-27(20)21)17-10-11-18(28-6)22-14(17)3/h10-11H,7-9,12-13H2,1-6H3
InChIKeyVXDDKEREKUNKHR-UHFFFAOYSA-N
MW382.51 g/mol
LogP4.14
Rot. Bonds8

About N-butyl-8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine

N-butyl-8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 42618235) has the molecular formula C21H30N6O and a molecular weight of 382.51 g/mol. Its IUPAC name is N-butyl-8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound NameN-butyl-8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID42618235
Molecular FormulaC21H30N6O
Molecular Weight382.51 g/mol
Exact Mass382.25
IUPAC NameN-butyl-8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCCCN(CCC)c1nc(C)nc2c(-c3ccc(OC)nc3C)c(C)nn12
InChIInChI=1S/C21H30N6O/c1-7-9-13-26(12-8-2)21-24-16(5)23-20-19(15(4)25-27(20)21)17-10-11-18(28-6)22-14(17)3/h10-11H,7-9,12-13H2,1-6H3
InChIKeyVXDDKEREKUNKHR-UHFFFAOYSA-N
XLogP4.14
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Pexacerfont
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Bms-561388
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CID 91884614
3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
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5-(4-Methoxyphenyl)-N-(4-(4-methylpiperazin-1-yl)phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 44556112
6-(4-Methoxyphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 5329457
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CID 5329458
N,N-Diethyl-2-(2-(4-methoxyphenyl)-5,7-dimethylpyrazolo(1,5-a)pyrimidin-3-yl)acetamide
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Pyrazolo[1,5-a]-1,3,5-triazin-4-amine,8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N-[(1S)-1-methylpropyl]-
CID 42618221
5-(3-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59186487
2-(5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl)-N,N-diethylacetamide
CID 71625545
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Frequently Asked Questions

What is the IUPAC name of N-butyl-8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of N-butyl-8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 42618235) is N-butyl-8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for N-butyl-8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for N-butyl-8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine is CCCCN(CCC)c1nc(C)nc2c(-c3ccc(OC)nc3C)c(C)nn12.
What is the InChIKey of N-butyl-8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is VXDDKEREKUNKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O/c1-7-9-13-26(12-8-2)21-24-16(5)23-20-19(15(4)25-27(20)21)17-10-11-18(28-6)22-14(17)3/h10-11H,7-9,12-13H2,1-6H3.
What are the key properties of N-butyl-8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
N-butyl-8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 382.51 g/mol, XLogP of 4.14, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 42618235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).