N-[[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methylphenyl]methyl]propan-2-amine

C16H23N5 — CID 64575732

IUPACN-[[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methylphenyl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)ccc1N1CCn2cnnc2C1
InChIInChI=1S/C16H23N5/c1-12(2)17-9-14-4-5-15(13(3)8-14)20-6-7-21-11-18-19-16(21)10-20/h4-5,8,11-12,17H,6-7,9-10H2,1-3H3
InChIKeyRYXOKMNNCOMOSZ-UHFFFAOYSA-N
MW285.40 g/mol
LogP2.10
Rot. Bonds4

About N-[[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methylphenyl]methyl]propan-2-amine

N-[[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methylphenyl]methyl]propan-2-amine (PubChem CID 64575732) has the molecular formula C16H23N5 and a molecular weight of 285.40 g/mol. Its IUPAC name is N-[[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methylphenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methylphenyl]methyl]propan-2-amine
PubChem CID64575732
Molecular FormulaC16H23N5
Molecular Weight285.40 g/mol
Exact Mass285.20
IUPAC NameN-[[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methylphenyl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)ccc1N1CCn2cnnc2C1
InChIInChI=1S/C16H23N5/c1-12(2)17-9-14-4-5-15(13(3)8-14)20-6-7-21-11-18-19-16(21)10-20/h4-5,8,11-12,17H,6-7,9-10H2,1-3H3
InChIKeyRYXOKMNNCOMOSZ-UHFFFAOYSA-N
XLogP2.10
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-[(3-methyl-4-thiomorpholin-4-ylphenyl)methyl]propan-2-amine
CID 62121009
N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyridinyl]methyl]propan-2-amine
CID 64579260
N-[[4-(3,4-dimethylpiperazin-1-yl)-3-methylphenyl]methyl]propan-2-amine
CID 63635862
N-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-methylphenyl]methyl]ethanamine
CID 63026595
1-[5-bromo-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]-N-ethylethanamine
CID 82953888
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propan-2-ylpropan-1-amine
CID 64580033
N-[[3-methyl-4-(2-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine
CID 55040210
1-[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]-N-methylmethanamine
CID 64575729
[1-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]piperidin-3-yl]methanol
CID 62120166
1-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]piperidine-4-carboxamide
CID 62121170
N-[[5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)furan-3-yl]methyl]propan-2-amine
CID 64578682
1-[3-chloro-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]ethanol
CID 64577247

Frequently Asked Questions

What is the IUPAC name of N-[[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methylphenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methylphenyl]methyl]propan-2-amine (CID 64575732) is N-[[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methylphenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methylphenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methylphenyl]methyl]propan-2-amine is Cc1cc(CNC(C)C)ccc1N1CCn2cnnc2C1.
What is the InChIKey of N-[[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methylphenyl]methyl]propan-2-amine?
The InChIKey is RYXOKMNNCOMOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-12(2)17-9-14-4-5-15(13(3)8-14)20-6-7-21-11-18-19-16(21)10-20/h4-5,8,11-12,17H,6-7,9-10H2,1-3H3.
What are the key properties of N-[[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methylphenyl]methyl]propan-2-amine?
N-[[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methylphenyl]methyl]propan-2-amine has a molecular weight of 285.40 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methylphenyl]methyl]propan-2-amine is sourced from PubChem (CID 64575732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).