6-methyl-5-[[2-methyl-6-(2-propoxyphenyl)pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-N,N-dipropylpyridin-2-amine

C26H33N7O — CID 58282937

IUPAC6-methyl-5-[[2-methyl-6-(2-propoxyphenyl)pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-N,N-dipropylpyridin-2-amine
SMILESCCCOc1ccccc1C1=Nn2nc(C)nc2/C1=N\c1ccc(N(CCC)CCC)nc1C
InChIInChI=1S/C26H33N7O/c1-6-15-32(16-7-2)23-14-13-21(18(4)27-23)29-25-24(31-33-26(25)28-19(5)30-33)20-11-9-10-12-22(20)34-17-8-3/h9-14H,6-8,15-17H2,1-5H3/b29-25-
InChIKeyNPQQUNYDRFWTMB-GNVQSUKOSA-N
MW459.60 g/mol
LogP5.09
Rot. Bonds10

About 6-methyl-5-[[2-methyl-6-(2-propoxyphenyl)pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-N,N-dipropylpyridin-2-amine

6-methyl-5-[[2-methyl-6-(2-propoxyphenyl)pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-N,N-dipropylpyridin-2-amine (PubChem CID 58282937) has the molecular formula C26H33N7O and a molecular weight of 459.60 g/mol. Its IUPAC name is 6-methyl-5-[[2-methyl-6-(2-propoxyphenyl)pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-N,N-dipropylpyridin-2-amine.

Molecular Properties

Compound Name6-methyl-5-[[2-methyl-6-(2-propoxyphenyl)pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-N,N-dipropylpyridin-2-amine
PubChem CID58282937
Molecular FormulaC26H33N7O
Molecular Weight459.60 g/mol
Exact Mass459.27
IUPAC Name6-methyl-5-[[2-methyl-6-(2-propoxyphenyl)pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-N,N-dipropylpyridin-2-amine
SMILESCCCOc1ccccc1C1=Nn2nc(C)nc2/C1=N\c1ccc(N(CCC)CCC)nc1C
InChIInChI=1S/C26H33N7O/c1-6-15-32(16-7-2)23-14-13-21(18(4)27-23)29-25-24(31-33-26(25)28-19(5)30-33)20-11-9-10-12-22(20)34-17-8-3/h9-14H,6-8,15-17H2,1-5H3/b29-25-
InChIKeyNPQQUNYDRFWTMB-GNVQSUKOSA-N
XLogP5.09
TPSA80.79 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.60
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[4-(diethylamino)-2-methylphenyl]imino-2-[2-[2-(2-ethoxyethoxy)ethoxy]phenyl]-6-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-one
CID 20717682
6-methyl-2-N,2-N-dipropylpyridine-2,5-diamine
CID 58282940
5-[[6-tert-butyl-3-(4-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-ylidene]amino]-N,N-diethyl-6-methylpyridin-2-amine;N,N-dibutyl-5-[[6-tert-butyl-3-(3-methylphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-ylidene]amino]-6-methylpyridin-2-amine;5-[(3,6-diphenylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)amino]-N,N-diethyl-6-methylpyridin-2-amine
CID 157189434
2-(2-chlorophenyl)-3-[4-[ethyl(2-methoxyethyl)amino]-2-methylphenyl]imino-5-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-one
CID 20717696
5-(chloromethyl)-6-methyl-N,N-dipropylpyridin-2-amine
CID 79885420
N,5,6-trimethyl-3-(2-propoxyphenyl)pyrazin-2-amine
CID 104663142
4-(2-propoxyphenyl)phthalazin-1-amine
CID 104663111
N-ethyl-4-methyl-6-(2-propoxyphenyl)pyrimidin-2-amine
CID 104663149
2-amino-N,N,4-trimethyl-6-(2-propoxyphenyl)pyrimidine-5-carboxamide
CID 54851987
4-methyl-6-(2-propoxyphenyl)-N-propylpyrimidin-2-amine
CID 104663148
[6-(2-butoxyphenyl)-2-methyl-3-pyridinyl]methanamine
CID 82452931
1-(chloromethoxy)-2-propoxybenzene
CID 79530194

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[[2-methyl-6-(2-propoxyphenyl)pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-N,N-dipropylpyridin-2-amine?
The IUPAC name of 6-methyl-5-[[2-methyl-6-(2-propoxyphenyl)pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-N,N-dipropylpyridin-2-amine (CID 58282937) is 6-methyl-5-[[2-methyl-6-(2-propoxyphenyl)pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-N,N-dipropylpyridin-2-amine.
What is the SMILES notation for 6-methyl-5-[[2-methyl-6-(2-propoxyphenyl)pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-N,N-dipropylpyridin-2-amine?
The canonical SMILES for 6-methyl-5-[[2-methyl-6-(2-propoxyphenyl)pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-N,N-dipropylpyridin-2-amine is CCCOc1ccccc1C1=Nn2nc(C)nc2/C1=N\c1ccc(N(CCC)CCC)nc1C.
What is the InChIKey of 6-methyl-5-[[2-methyl-6-(2-propoxyphenyl)pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-N,N-dipropylpyridin-2-amine?
The InChIKey is NPQQUNYDRFWTMB-GNVQSUKOSA-N. The full InChI is InChI=1S/C26H33N7O/c1-6-15-32(16-7-2)23-14-13-21(18(4)27-23)29-25-24(31-33-26(25)28-19(5)30-33)20-11-9-10-12-22(20)34-17-8-3/h9-14H,6-8,15-17H2,1-5H3/b29-25-.
What are the key properties of 6-methyl-5-[[2-methyl-6-(2-propoxyphenyl)pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-N,N-dipropylpyridin-2-amine?
6-methyl-5-[[2-methyl-6-(2-propoxyphenyl)pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-N,N-dipropylpyridin-2-amine has a molecular weight of 459.60 g/mol, XLogP of 5.09, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[[2-methyl-6-(2-propoxyphenyl)pyrazolo[1,5-b][1,2,4]triazol-7-ylidene]amino]-N,N-dipropylpyridin-2-amine is sourced from PubChem (CID 58282937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).