N-benzyl-3-(3-methyl-2H-indazol-5-yl)-5-(3-propan-2-ylpiperazin-1-yl)-1,2,4-triazin-6-amine

C25H30N8 — CID 73043663

IUPACN-benzyl-3-(3-methyl-2H-indazol-5-yl)-5-(3-propan-2-ylpiperazin-1-yl)-1,2,4-triazin-6-amine
SMILESCc1[nH]nc2ccc(-c3nnc(NCc4ccccc4)c(N4CCNC(C(C)C)C4)n3)cc12
InChIInChI=1S/C25H30N8/c1-16(2)22-15-33(12-11-26-22)25-24(27-14-18-7-5-4-6-8-18)32-31-23(28-25)19-9-10-21-20(13-19)17(3)29-30-21/h4-10,13,16,22,26H,11-12,14-15H2,1-3H3,(H,27,32)(H,29,30)
InChIKeyMBVRDGDGTYFRFM-UHFFFAOYSA-N
MW442.57 g/mol
LogP3.77
Rot. Bonds6

About N-benzyl-3-(3-methyl-2H-indazol-5-yl)-5-(3-propan-2-ylpiperazin-1-yl)-1,2,4-triazin-6-amine

N-benzyl-3-(3-methyl-2H-indazol-5-yl)-5-(3-propan-2-ylpiperazin-1-yl)-1,2,4-triazin-6-amine (PubChem CID 73043663) has the molecular formula C25H30N8 and a molecular weight of 442.57 g/mol. Its IUPAC name is N-benzyl-3-(3-methyl-2H-indazol-5-yl)-5-(3-propan-2-ylpiperazin-1-yl)-1,2,4-triazin-6-amine.

Molecular Properties

Compound NameN-benzyl-3-(3-methyl-2H-indazol-5-yl)-5-(3-propan-2-ylpiperazin-1-yl)-1,2,4-triazin-6-amine
PubChem CID73043663
Molecular FormulaC25H30N8
Molecular Weight442.57 g/mol
Exact Mass442.26
IUPAC NameN-benzyl-3-(3-methyl-2H-indazol-5-yl)-5-(3-propan-2-ylpiperazin-1-yl)-1,2,4-triazin-6-amine
SMILESCc1[nH]nc2ccc(-c3nnc(NCc4ccccc4)c(N4CCNC(C(C)C)C4)n3)cc12
InChIInChI=1S/C25H30N8/c1-16(2)22-15-33(12-11-26-22)25-24(27-14-18-7-5-4-6-8-18)32-31-23(28-25)19-9-10-21-20(13-19)17(3)29-30-21/h4-10,13,16,22,26H,11-12,14-15H2,1-3H3,(H,27,32)(H,29,30)
InChIKeyMBVRDGDGTYFRFM-UHFFFAOYSA-N
XLogP3.77
TPSA94.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.57
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

5-[6-chloro-5-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-3-yl]-3-methyl-2H-indazole
CID 11610415
5-[5-[(3S)-3-benzylpiperazin-1-yl]-6-chloro-1,2,4-triazin-3-yl]-3-methyl-2H-indazole
CID 11553539
3-(3-methyl-2H-indazol-5-yl)-5-(3-methylpiperazin-1-yl)-1,2,4-triazin-6-amine
CID 73035751
3-methyl-5-[5-(3-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]-2H-indazole
CID 91521289
5-[5-(3,3-dibenzylpiperazin-1-yl)-1,2,4-triazin-3-yl]-3-methyl-2H-indazole
CID 11670098
5-[5-[(3S)-3-benzyl-4-methylpiperazin-1-yl]-1,2,4-triazin-3-yl]-3-methyl-2H-indazole
CID 11639917
5-[5-(3-benzylpiperazin-1-yl)-1,2,4-triazin-3-yl]-3-chloro-2H-indazole
CID 91590115
5-(3-methyl-2H-indazol-5-yl)-3-piperazin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine
CID 24872598
N-benzyl-5-(3-methyl-2H-indazol-5-yl)-1,3-oxazol-2-amine
CID 25175383
1-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]piperidin-3-amine
CID 11673967
(2S)-1-N-[5-(3-methyl-2H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-5-phenylpentane-1,2-diamine
CID 59694482
1-methyl-2-[(3S)-3-propan-2-ylpiperazin-1-yl]benzimidazole
CID 129391666

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(3-methyl-2H-indazol-5-yl)-5-(3-propan-2-ylpiperazin-1-yl)-1,2,4-triazin-6-amine?
The IUPAC name of N-benzyl-3-(3-methyl-2H-indazol-5-yl)-5-(3-propan-2-ylpiperazin-1-yl)-1,2,4-triazin-6-amine (CID 73043663) is N-benzyl-3-(3-methyl-2H-indazol-5-yl)-5-(3-propan-2-ylpiperazin-1-yl)-1,2,4-triazin-6-amine.
What is the SMILES notation for N-benzyl-3-(3-methyl-2H-indazol-5-yl)-5-(3-propan-2-ylpiperazin-1-yl)-1,2,4-triazin-6-amine?
The canonical SMILES for N-benzyl-3-(3-methyl-2H-indazol-5-yl)-5-(3-propan-2-ylpiperazin-1-yl)-1,2,4-triazin-6-amine is Cc1[nH]nc2ccc(-c3nnc(NCc4ccccc4)c(N4CCNC(C(C)C)C4)n3)cc12.
What is the InChIKey of N-benzyl-3-(3-methyl-2H-indazol-5-yl)-5-(3-propan-2-ylpiperazin-1-yl)-1,2,4-triazin-6-amine?
The InChIKey is MBVRDGDGTYFRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N8/c1-16(2)22-15-33(12-11-26-22)25-24(27-14-18-7-5-4-6-8-18)32-31-23(28-25)19-9-10-21-20(13-19)17(3)29-30-21/h4-10,13,16,22,26H,11-12,14-15H2,1-3H3,(H,27,32)(H,29,30).
What are the key properties of N-benzyl-3-(3-methyl-2H-indazol-5-yl)-5-(3-propan-2-ylpiperazin-1-yl)-1,2,4-triazin-6-amine?
N-benzyl-3-(3-methyl-2H-indazol-5-yl)-5-(3-propan-2-ylpiperazin-1-yl)-1,2,4-triazin-6-amine has a molecular weight of 442.57 g/mol, XLogP of 3.77, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(3-methyl-2H-indazol-5-yl)-5-(3-propan-2-ylpiperazin-1-yl)-1,2,4-triazin-6-amine is sourced from PubChem (CID 73043663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).