N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrazolo[1,5-a]pyrimidin-5-amine

C11H13N7 — CID 113296729

IUPACN-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESc1n[nH]c(CCCNc2ccn3nccc3n2)n1
InChIInChI=1S/C11H13N7/c1(2-10-13-8-14-17-10)5-12-9-4-7-18-11(16-9)3-6-15-18/h3-4,6-8H,1-2,5H2,(H,12,16)(H,13,14,17)
InChIKeyQBZRSLBIBYCMLC-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.89
Rot. Bonds5

About N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrazolo[1,5-a]pyrimidin-5-amine

N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 113296729) has the molecular formula C11H13N7 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID113296729
Molecular FormulaC11H13N7
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC NameN-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESc1n[nH]c(CCCNc2ccn3nccc3n2)n1
InChIInChI=1S/C11H13N7/c1(2-10-13-8-14-17-10)5-12-9-4-7-18-11(16-9)3-6-15-18/h3-4,6-8H,1-2,5H2,(H,12,16)(H,13,14,17)
InChIKeyQBZRSLBIBYCMLC-UHFFFAOYSA-N
XLogP0.89
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylsulfanylpropyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372575
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-6-(trifluoromethyl)pyridin-2-amine
CID 64529648
N',N'-diethyl-N-pyrazolo[1,5-a]pyrimidin-5-ylpropane-1,3-diamine
CID 115372327
N-but-3-ynylpyrazolo[1,5-a]pyrimidin-5-amine
CID 115372581
N'-methyl-N'-phenyl-N-pyrazolo[1,5-a]pyrimidin-5-ylpropane-1,3-diamine
CID 115372311
N',N'-diethyl-N-pyrazolo[1,5-a]pyrimidin-5-ylethane-1,2-diamine
CID 113296634
3-amino-6-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridine-2-carbonitrile
CID 103468558
5-tert-butyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridin-2-amine
CID 107874725
N-(2-phenylsulfanylethyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372397
2-methyl-1-(pyrazolo[1,5-a]pyrimidin-5-ylamino)propan-2-ol
CID 115372604
N-(5-chloro-2,2-dimethylpentyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 106142058
3-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrazine-2,3-diamine
CID 102984527

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrazolo[1,5-a]pyrimidin-5-amine (CID 113296729) is N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrazolo[1,5-a]pyrimidin-5-amine is c1n[nH]c(CCCNc2ccn3nccc3n2)n1.
What is the InChIKey of N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is QBZRSLBIBYCMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N7/c1(2-10-13-8-14-17-10)5-12-9-4-7-18-11(16-9)3-6-15-18/h3-4,6-8H,1-2,5H2,(H,12,16)(H,13,14,17).
What are the key properties of N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrazolo[1,5-a]pyrimidin-5-amine?
N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 243.27 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 113296729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).