2-tert-butyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-amine

C19H21N7 — CID 138052964

IUPAC2-tert-butyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-amine
SMILESCC(C)(C)c1cc2c(NCc3ccc(-n4cncn4)cc3)nccn2n1
InChIInChI=1S/C19H21N7/c1-19(2,3)17-10-16-18(21-8-9-25(16)24-17)22-11-14-4-6-15(7-5-14)26-13-20-12-23-26/h4-10,12-13H,11H2,1-3H3,(H,21,22)
InChIKeyPRZOKZXVACBIAS-UHFFFAOYSA-N
MW347.43 g/mol
LogP3.22
Rot. Bonds4

About 2-tert-butyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-amine

2-tert-butyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 138052964) has the molecular formula C19H21N7 and a molecular weight of 347.43 g/mol. Its IUPAC name is 2-tert-butyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID138052964
Molecular FormulaC19H21N7
Molecular Weight347.43 g/mol
Exact Mass347.19
IUPAC Name2-tert-butyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-amine
SMILESCC(C)(C)c1cc2c(NCc3ccc(-n4cncn4)cc3)nccn2n1
InChIInChI=1S/C19H21N7/c1-19(2,3)17-10-16-18(21-8-9-25(16)24-17)22-11-14-4-6-15(7-5-14)26-13-20-12-23-26/h4-10,12-13H,11H2,1-3H3,(H,21,22)
InChIKeyPRZOKZXVACBIAS-UHFFFAOYSA-N
XLogP3.22
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-tert-butyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-amine with MolForge

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Related Compounds

2-tert-butyl-N-(pyridazin-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 106896589
N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104730531
2-tert-butyl-N-(2-chloroethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104733907
2-tert-butyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrazin-4-amine
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N-[[4-(methoxymethyl)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 133489559
3,5-dimethyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]aniline
CID 87011517
N-[[4-(chloromethyl)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 107233154
2-N,3-N-bis[[3-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazine-2,3-diamine
CID 166216423
2-tert-butyl-N-(3-methylpentan-3-yl)pyrazolo[1,5-a]pyrazin-4-amine
CID 106329795
N-[(4-chlorophenyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104730342
2-tert-butyl-N-(3-chloro-2-methylpropyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104733993
N'-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)pentane-1,5-diamine
CID 107323432

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of 2-tert-butyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-amine (CID 138052964) is 2-tert-butyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for 2-tert-butyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-amine is CC(C)(C)c1cc2c(NCc3ccc(-n4cncn4)cc3)nccn2n1.
What is the InChIKey of 2-tert-butyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is PRZOKZXVACBIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7/c1-19(2,3)17-10-16-18(21-8-9-25(16)24-17)22-11-14-4-6-15(7-5-14)26-13-20-12-23-26/h4-10,12-13H,11H2,1-3H3,(H,21,22).
What are the key properties of 2-tert-butyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-amine?
2-tert-butyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 347.43 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 138052964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).