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

C16H29N5 — CID 170617007

IUPAC7-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)N1CCC(c2nnc3n2CCN(C(C)C)C3)CC1
InChIInChI=1S/C16H29N5/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,5-11H2,1-4H3
InChIKeyBNSNQAZCMWKAIK-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.09
Rot. Bonds3

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

7-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 170617007) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 7-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID170617007
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name7-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)N1CCC(c2nnc3n2CCN(C(C)C)C3)CC1
InChIInChI=1S/C16H29N5/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,5-11H2,1-4H3
InChIKeyBNSNQAZCMWKAIK-UHFFFAOYSA-N
XLogP2.09
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 170617007) is 7-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is CC(C)N1CCC(c2nnc3n2CCN(C(C)C)C3)CC1.
What is the InChIKey of 7-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is BNSNQAZCMWKAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/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,5-11H2,1-4H3.
What are the key properties of 7-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 291.44 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 170617007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).