3-(1-propan-2-ylpiperidin-4-yl)-7-prop-1-en-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C16H27N5 — CID 176693567

IUPAC3-(1-propan-2-ylpiperidin-4-yl)-7-prop-1-en-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESC=C(C)N1CCn2c(nnc2C2CCN(C(C)C)CC2)C1
InChIInChI=1S/C16H27N5/c1-12(2)19-7-5-14(6-8-19)16-18-17-15-11-20(13(3)4)9-10-21(15)16/h12,14H,3,5-11H2,1-2,4H3
InChIKeyBBVLUVAOUBXZAF-UHFFFAOYSA-N
MW289.43 g/mol
LogP2.22
Rot. Bonds3

About 3-(1-propan-2-ylpiperidin-4-yl)-7-prop-1-en-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

3-(1-propan-2-ylpiperidin-4-yl)-7-prop-1-en-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 176693567) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is 3-(1-propan-2-ylpiperidin-4-yl)-7-prop-1-en-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(1-propan-2-ylpiperidin-4-yl)-7-prop-1-en-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID176693567
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name3-(1-propan-2-ylpiperidin-4-yl)-7-prop-1-en-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESC=C(C)N1CCn2c(nnc2C2CCN(C(C)C)CC2)C1
InChIInChI=1S/C16H27N5/c1-12(2)19-7-5-14(6-8-19)16-18-17-15-11-20(13(3)4)9-10-21(15)16/h12,14H,3,5-11H2,1-2,4H3
InChIKeyBBVLUVAOUBXZAF-UHFFFAOYSA-N
XLogP2.22
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-propan-2-ylpiperidin-4-yl)-7-prop-1-en-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(1-propan-2-ylpiperidin-4-yl)-7-prop-1-en-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 176693567) is 3-(1-propan-2-ylpiperidin-4-yl)-7-prop-1-en-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(1-propan-2-ylpiperidin-4-yl)-7-prop-1-en-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(1-propan-2-ylpiperidin-4-yl)-7-prop-1-en-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is C=C(C)N1CCn2c(nnc2C2CCN(C(C)C)CC2)C1.
What is the InChIKey of 3-(1-propan-2-ylpiperidin-4-yl)-7-prop-1-en-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is BBVLUVAOUBXZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-12(2)19-7-5-14(6-8-19)16-18-17-15-11-20(13(3)4)9-10-21(15)16/h12,14H,3,5-11H2,1-2,4H3.
What are the key properties of 3-(1-propan-2-ylpiperidin-4-yl)-7-prop-1-en-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
3-(1-propan-2-ylpiperidin-4-yl)-7-prop-1-en-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 289.43 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propan-2-ylpiperidin-4-yl)-7-prop-1-en-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 176693567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).