N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine

C17H26N4 — CID 166247877

IUPACN-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESc1nn2c(c1CNC1CC3CC1C1CCCC31)CNCC2
InChIInChI=1S/C17H26N4/c1-2-13-11-6-15(14(13)3-1)16(7-11)19-8-12-9-20-21-5-4-18-10-17(12)21/h9,11,13-16,18-19H,1-8,10H2
InChIKeyYKGMERNRCNGRCR-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.90
Rot. Bonds3

About N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine

N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 166247877) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound NameN-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID166247877
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC NameN-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESc1nn2c(c1CNC1CC3CC1C1CCCC31)CNCC2
InChIInChI=1S/C17H26N4/c1-2-13-11-6-15(14(13)3-1)16(7-11)19-8-12-9-20-21-5-4-18-10-17(12)21/h9,11,13-16,18-19H,1-8,10H2
InChIKeyYKGMERNRCNGRCR-UHFFFAOYSA-N
XLogP1.90
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine (CID 166247877) is N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine is c1nn2c(c1CNC1CC3CC1C1CCCC31)CNCC2.
What is the InChIKey of N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is YKGMERNRCNGRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-2-13-11-6-15(14(13)3-1)16(7-11)19-8-12-9-20-21-5-4-18-10-17(12)21/h9,11,13-16,18-19H,1-8,10H2.
What are the key properties of N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine?
N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 286.42 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 166247877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).