N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C24H23N7 — CID 56575257

IUPACN-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCc1nc2c3ccccc3nc(NC3CCCc4c3cnn4Cc3ccccc3)n2n1
InChIInChI=1S/C24H23N7/c1-16-26-23-18-10-5-6-11-20(18)27-24(31(23)29-16)28-21-12-7-13-22-19(21)14-25-30(22)15-17-8-3-2-4-9-17/h2-6,8-11,14,21H,7,12-13,15H2,1H3,(H,27,28)
InChIKeyTWTQSQLAORIZHD-UHFFFAOYSA-N
MW409.50 g/mol
LogP4.32
Rot. Bonds4

About N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 56575257) has the molecular formula C24H23N7 and a molecular weight of 409.50 g/mol. Its IUPAC name is N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound NameN-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID56575257
Molecular FormulaC24H23N7
Molecular Weight409.50 g/mol
Exact Mass409.20
IUPAC NameN-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCc1nc2c3ccccc3nc(NC3CCCc4c3cnn4Cc3ccccc3)n2n1
InChIInChI=1S/C24H23N7/c1-16-26-23-18-10-5-6-11-20(18)27-24(31(23)29-16)28-21-12-7-13-22-19(21)14-25-30(22)15-17-8-3-2-4-9-17/h2-6,8-11,14,21H,7,12-13,15H2,1H3,(H,27,28)
InChIKeyTWTQSQLAORIZHD-UHFFFAOYSA-N
XLogP4.32
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.50
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cycloheptyl-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 56553711
2-methyl-N-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 56553341
(4S)-1-benzyl-N-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 34543294
1-benzyl-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 86772207
(4S)-1-benzyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydroindazol-4-amine
CID 32882998
4-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133409203
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxyacetamide
CID 31897688
1-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(4-methylphenyl)urea
CID 51939747
methyl 5-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoyl]-1-methylpyrazole-3-carboxylate
CID 167751058
5-[[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]amino]-3-chloro-1,2-thiazole-4-carbonitrile
CID 94410190
(4S)-1-benzyl-N-[4-(difluoromethylsulfonyl)phenyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 94410192
N-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-methylbenzamide
CID 31897730

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 56575257) is N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is Cc1nc2c3ccccc3nc(NC3CCCc4c3cnn4Cc3ccccc3)n2n1.
What is the InChIKey of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is TWTQSQLAORIZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7/c1-16-26-23-18-10-5-6-11-20(18)27-24(31(23)29-16)28-21-12-7-13-22-19(21)14-25-30(22)15-17-8-3-2-4-9-17/h2-6,8-11,14,21H,7,12-13,15H2,1H3,(H,27,28).
What are the key properties of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 409.50 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 56575257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).