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

C21H28N6O — CID 42618230

IUPACN-(cyclopropylmethyl)-8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCCN(CC1CC1)c1nc(C)nc2c(-c3ccc(OC)nc3C)c(C)nn12
InChIInChI=1S/C21H28N6O/c1-6-11-26(12-16-7-8-16)21-24-15(4)23-20-19(14(3)25-27(20)21)17-9-10-18(28-5)22-13(17)2/h9-10,16H,6-8,11-12H2,1-5H3
InChIKeyUYEQBGXUECRUJS-UHFFFAOYSA-N
MW380.50 g/mol
LogP3.75
Rot. Bonds7

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

N-(cyclopropylmethyl)-8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 42618230) has the molecular formula C21H28N6O and a molecular weight of 380.50 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-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-(cyclopropylmethyl)-8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID42618230
Molecular FormulaC21H28N6O
Molecular Weight380.50 g/mol
Exact Mass380.23
IUPAC NameN-(cyclopropylmethyl)-8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCCN(CC1CC1)c1nc(C)nc2c(-c3ccc(OC)nc3C)c(C)nn12
InChIInChI=1S/C21H28N6O/c1-6-11-26(12-16-7-8-16)21-24-15(4)23-20-19(14(3)25-27(20)21)17-9-10-18(28-5)22-13(17)2/h9-10,16H,6-8,11-12H2,1-5H3
InChIKeyUYEQBGXUECRUJS-UHFFFAOYSA-N
XLogP3.75
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-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-(cyclopropylmethyl)-8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 42618230) is N-(cyclopropylmethyl)-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-(cyclopropylmethyl)-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-(cyclopropylmethyl)-8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine is CCCN(CC1CC1)c1nc(C)nc2c(-c3ccc(OC)nc3C)c(C)nn12.
What is the InChIKey of N-(cyclopropylmethyl)-8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is UYEQBGXUECRUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O/c1-6-11-26(12-16-7-8-16)21-24-15(4)23-20-19(14(3)25-27(20)21)17-9-10-18(28-5)22-13(17)2/h9-10,16H,6-8,11-12H2,1-5H3.
What are the key properties of N-(cyclopropylmethyl)-8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
N-(cyclopropylmethyl)-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 380.50 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-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 42618230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).