N,5-dimethyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C21H25N7 — CID 55922269

IUPACN,5-dimethyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(N(C)CCCCCc2cc(-c3ccccc3)n[nH]2)n2ncnc2n1
InChIInChI=1S/C21H25N7/c1-16-13-20(28-21(24-16)22-15-23-28)27(2)12-8-4-7-11-18-14-19(26-25-18)17-9-5-3-6-10-17/h3,5-6,9-10,13-15H,4,7-8,11-12H2,1-2H3,(H,25,26)
InChIKeyLJUNWIDOQSLQNT-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.67
Rot. Bonds8

About N,5-dimethyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N,5-dimethyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 55922269) has the molecular formula C21H25N7 and a molecular weight of 375.48 g/mol. Its IUPAC name is N,5-dimethyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN,5-dimethyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID55922269
Molecular FormulaC21H25N7
Molecular Weight375.48 g/mol
Exact Mass375.22
IUPAC NameN,5-dimethyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(N(C)CCCCCc2cc(-c3ccccc3)n[nH]2)n2ncnc2n1
InChIInChI=1S/C21H25N7/c1-16-13-20(28-21(24-16)22-15-23-28)27(2)12-8-4-7-11-18-14-19(26-25-18)17-9-5-3-6-10-17/h3,5-6,9-10,13-15H,4,7-8,11-12H2,1-2H3,(H,25,26)
InChIKeyLJUNWIDOQSLQNT-UHFFFAOYSA-N
XLogP3.67
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N,5-dimethyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 55922269) is N,5-dimethyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N,5-dimethyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N,5-dimethyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(N(C)CCCCCc2cc(-c3ccccc3)n[nH]2)n2ncnc2n1.
What is the InChIKey of N,5-dimethyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is LJUNWIDOQSLQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7/c1-16-13-20(28-21(24-16)22-15-23-28)27(2)12-8-4-7-11-18-14-19(26-25-18)17-9-5-3-6-10-17/h3,5-6,9-10,13-15H,4,7-8,11-12H2,1-2H3,(H,25,26).
What are the key properties of N,5-dimethyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N,5-dimethyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 375.48 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 55922269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).