N-(cyclopropylmethyl)-8-(2,4-dimethoxy-6-methylphenyl)-N-(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine

C23H31N5O3 — CID 42618189

IUPACN-(cyclopropylmethyl)-8-(2,4-dimethoxy-6-methylphenyl)-N-(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCOCCN(CC1CC1)c1nc(C)nc2c(-c3c(C)cc(OC)cc3OC)c(C)nn12
InChIInChI=1S/C23H31N5O3/c1-14-11-18(30-5)12-19(31-6)20(14)21-15(2)26-28-22(21)24-16(3)25-23(28)27(9-10-29-4)13-17-7-8-17/h11-12,17H,7-10,13H2,1-6H3
InChIKeySFAPIRSVXCYDJJ-UHFFFAOYSA-N
MW425.53 g/mol
LogP3.60
Rot. Bonds9

About N-(cyclopropylmethyl)-8-(2,4-dimethoxy-6-methylphenyl)-N-(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine

N-(cyclopropylmethyl)-8-(2,4-dimethoxy-6-methylphenyl)-N-(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 42618189) has the molecular formula C23H31N5O3 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-8-(2,4-dimethoxy-6-methylphenyl)-N-(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-8-(2,4-dimethoxy-6-methylphenyl)-N-(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID42618189
Molecular FormulaC23H31N5O3
Molecular Weight425.53 g/mol
Exact Mass425.24
IUPAC NameN-(cyclopropylmethyl)-8-(2,4-dimethoxy-6-methylphenyl)-N-(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCOCCN(CC1CC1)c1nc(C)nc2c(-c3c(C)cc(OC)cc3OC)c(C)nn12
InChIInChI=1S/C23H31N5O3/c1-14-11-18(30-5)12-19(31-6)20(14)21-15(2)26-28-22(21)24-16(3)25-23(28)27(9-10-29-4)13-17-7-8-17/h11-12,17H,7-10,13H2,1-6H3
InChIKeySFAPIRSVXCYDJJ-UHFFFAOYSA-N
XLogP3.60
TPSA74.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-8-(2,4-dimethoxy-6-methylphenyl)-N-(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-8-(2,4-dimethoxy-6-methylphenyl)-N-(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 42618189) is N-(cyclopropylmethyl)-8-(2,4-dimethoxy-6-methylphenyl)-N-(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-8-(2,4-dimethoxy-6-methylphenyl)-N-(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-8-(2,4-dimethoxy-6-methylphenyl)-N-(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is COCCN(CC1CC1)c1nc(C)nc2c(-c3c(C)cc(OC)cc3OC)c(C)nn12.
What is the InChIKey of N-(cyclopropylmethyl)-8-(2,4-dimethoxy-6-methylphenyl)-N-(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is SFAPIRSVXCYDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O3/c1-14-11-18(30-5)12-19(31-6)20(14)21-15(2)26-28-22(21)24-16(3)25-23(28)27(9-10-29-4)13-17-7-8-17/h11-12,17H,7-10,13H2,1-6H3.
What are the key properties of N-(cyclopropylmethyl)-8-(2,4-dimethoxy-6-methylphenyl)-N-(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
N-(cyclopropylmethyl)-8-(2,4-dimethoxy-6-methylphenyl)-N-(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 425.53 g/mol, XLogP of 3.60, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-8-(2,4-dimethoxy-6-methylphenyl)-N-(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 42618189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).