8-N-[3-(dimethylamino)propyl]-2-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2,8-diamine

C17H23N7 — CID 66584174

IUPAC8-N-[3-(dimethylamino)propyl]-2-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2,8-diamine
SMILESCc1cccc(Nc2nc3c(NCCCN(C)C)nccn3n2)c1
InChIInChI=1S/C17H23N7/c1-13-6-4-7-14(12-13)20-17-21-16-15(18-8-5-10-23(2)3)19-9-11-24(16)22-17/h4,6-7,9,11-12H,5,8,10H2,1-3H3,(H,18,19)(H,20,22)
InChIKeyCFNMBSJBWACOMJ-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.54
Rot. Bonds7

About 8-N-[3-(dimethylamino)propyl]-2-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2,8-diamine

8-N-[3-(dimethylamino)propyl]-2-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2,8-diamine (PubChem CID 66584174) has the molecular formula C17H23N7 and a molecular weight of 325.42 g/mol. Its IUPAC name is 8-N-[3-(dimethylamino)propyl]-2-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2,8-diamine.

Molecular Properties

Compound Name8-N-[3-(dimethylamino)propyl]-2-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2,8-diamine
PubChem CID66584174
Molecular FormulaC17H23N7
Molecular Weight325.42 g/mol
Exact Mass325.20
IUPAC Name8-N-[3-(dimethylamino)propyl]-2-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2,8-diamine
SMILESCc1cccc(Nc2nc3c(NCCCN(C)C)nccn3n2)c1
InChIInChI=1S/C17H23N7/c1-13-6-4-7-14(12-13)20-17-21-16-15(18-8-5-10-23(2)3)19-9-11-24(16)22-17/h4,6-7,9,11-12H,5,8,10H2,1-3H3,(H,18,19)(H,20,22)
InChIKeyCFNMBSJBWACOMJ-UHFFFAOYSA-N
XLogP2.54
TPSA70.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-N-(3,5-dimethoxyphenyl)-8-N-[3-(dimethylamino)propyl]-[1,2,4]triazolo[1,5-a]pyrazine-2,8-diamine
CID 66584146
8-chloro-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
CID 87058900
2-N-(3-methylphenyl)-8-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazine-2,8-diamine
CID 66584169
4-N-[3-(dimethylamino)propyl]-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 91504160
N-(3-methylphenyl)-8-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
CID 56846717
2-N-[3-(dimethylamino)propyl]-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112913671
N-[3-(dimethylamino)propyl]-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109301921
N',N'-dimethyl-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)propane-1,3-diamine
CID 104730523
2-N-(3-bromophenyl)-4-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-2,4-diamine
CID 112913567
N-[3-(dimethylamino)propyl]-3-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 44623508
4-N-[3-(dimethylamino)propyl]-2-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 23634363
N',N'-dimethyl-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]butane-1,4-diamine
CID 104731247

Frequently Asked Questions

What is the IUPAC name of 8-N-[3-(dimethylamino)propyl]-2-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2,8-diamine?
The IUPAC name of 8-N-[3-(dimethylamino)propyl]-2-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2,8-diamine (CID 66584174) is 8-N-[3-(dimethylamino)propyl]-2-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2,8-diamine.
What is the SMILES notation for 8-N-[3-(dimethylamino)propyl]-2-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2,8-diamine?
The canonical SMILES for 8-N-[3-(dimethylamino)propyl]-2-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2,8-diamine is Cc1cccc(Nc2nc3c(NCCCN(C)C)nccn3n2)c1.
What is the InChIKey of 8-N-[3-(dimethylamino)propyl]-2-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2,8-diamine?
The InChIKey is CFNMBSJBWACOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7/c1-13-6-4-7-14(12-13)20-17-21-16-15(18-8-5-10-23(2)3)19-9-11-24(16)22-17/h4,6-7,9,11-12H,5,8,10H2,1-3H3,(H,18,19)(H,20,22).
What are the key properties of 8-N-[3-(dimethylamino)propyl]-2-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2,8-diamine?
8-N-[3-(dimethylamino)propyl]-2-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2,8-diamine has a molecular weight of 325.42 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-[3-(dimethylamino)propyl]-2-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2,8-diamine is sourced from PubChem (CID 66584174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).