N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine

C14H19N7 — CID 104731912

IUPACN-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCC(C)c1cc2c(NCCc3ncn(C)n3)nccn2n1
InChIInChI=1S/C14H19N7/c1-10(2)11-8-12-14(16-6-7-21(12)18-11)15-5-4-13-17-9-20(3)19-13/h6-10H,4-5H2,1-3H3,(H,15,16)
InChIKeyVNGQPKKVLVFQOP-UHFFFAOYSA-N
MW285.36 g/mol
LogP1.64
Rot. Bonds5

About N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine

N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 104731912) has the molecular formula C14H19N7 and a molecular weight of 285.36 g/mol. Its IUPAC name is N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
PubChem CID104731912
Molecular FormulaC14H19N7
Molecular Weight285.36 g/mol
Exact Mass285.17
IUPAC NameN-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCC(C)c1cc2c(NCCc3ncn(C)n3)nccn2n1
InChIInChI=1S/C14H19N7/c1-10(2)11-8-12-14(16-6-7-21(12)18-11)15-5-4-13-17-9-20(3)19-13/h6-10H,4-5H2,1-3H3,(H,15,16)
InChIKeyVNGQPKKVLVFQOP-UHFFFAOYSA-N
XLogP1.64
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 106418512
N',N'-dimethyl-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)propane-1,3-diamine
CID 104730523
N-(3-chlorobutyl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
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CID 106127800
N-octyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104731980
N'-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)butane-1,4-diamine
CID 104730160
N-[2-(cyclopenten-1-yl)ethyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 106177522
N-(2-ethoxyethyl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104730730
N-(2-methylsulfonylethyl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104730795
2-methyl-4-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]butanoic acid
CID 104729700
2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethylurea
CID 104732037
5-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]pentanamide
CID 106238782

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine (CID 104731912) is N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine is CC(C)c1cc2c(NCCc3ncn(C)n3)nccn2n1.
What is the InChIKey of N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is VNGQPKKVLVFQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7/c1-10(2)11-8-12-14(16-6-7-21(12)18-11)15-5-4-13-17-9-20(3)19-13/h6-10H,4-5H2,1-3H3,(H,15,16).
What are the key properties of N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 285.36 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 104731912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).