N-(1H-imidazol-2-ylmethyl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine

C13H16N6 — CID 104731628

IUPACN-(1H-imidazol-2-ylmethyl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCC(C)c1cc2c(NCc3ncc[nH]3)nccn2n1
InChIInChI=1S/C13H16N6/c1-9(2)10-7-11-13(16-5-6-19(11)18-10)17-8-12-14-3-4-15-12/h3-7,9H,8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyKHFLROHZHDIHPV-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.19
Rot. Bonds4

About N-(1H-imidazol-2-ylmethyl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine

N-(1H-imidazol-2-ylmethyl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 104731628) has the molecular formula C13H16N6 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
PubChem CID104731628
Molecular FormulaC13H16N6
Molecular Weight256.31 g/mol
Exact Mass256.14
IUPAC NameN-(1H-imidazol-2-ylmethyl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCC(C)c1cc2c(NCc3ncc[nH]3)nccn2n1
InChIInChI=1S/C13H16N6/c1-9(2)10-7-11-13(16-5-6-19(11)18-10)17-8-12-14-3-4-15-12/h3-7,9H,8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyKHFLROHZHDIHPV-UHFFFAOYSA-N
XLogP2.19
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine (CID 104731628) is N-(1H-imidazol-2-ylmethyl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine is CC(C)c1cc2c(NCc3ncc[nH]3)nccn2n1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is KHFLROHZHDIHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6/c1-9(2)10-7-11-13(16-5-6-19(11)18-10)17-8-12-14-3-4-15-12/h3-7,9H,8H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
N-(1H-imidazol-2-ylmethyl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 256.31 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 104731628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).