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

C16H31N5 — CID 178034011

IUPACethane;7-methyl-3-(1-propan-2-ylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC.CC(C)N1CCC(c2nnc3n2CCN(C)C3)CC1
InChIInChI=1S/C14H25N5.C2H6/c1-11(2)18-6-4-12(5-7-18)14-16-15-13-10-17(3)8-9-19(13)14;1-2/h11-12H,4-10H2,1-3H3;1-2H3
InChIKeyMVBJJCVJIRSBQN-UHFFFAOYSA-N
MW293.46 g/mol
LogP2.34
Rot. Bonds2

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

ethane;7-methyl-3-(1-propan-2-ylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 178034011) has the molecular formula C16H31N5 and a molecular weight of 293.46 g/mol. Its IUPAC name is ethane;7-methyl-3-(1-propan-2-ylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Nameethane;7-methyl-3-(1-propan-2-ylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID178034011
Molecular FormulaC16H31N5
Molecular Weight293.46 g/mol
Exact Mass293.26
IUPAC Nameethane;7-methyl-3-(1-propan-2-ylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC.CC(C)N1CCC(c2nnc3n2CCN(C)C3)CC1
InChIInChI=1S/C14H25N5.C2H6/c1-11(2)18-6-4-12(5-7-18)14-16-15-13-10-17(3)8-9-19(13)14;1-2/h11-12H,4-10H2,1-3H3;1-2H3
InChIKeyMVBJJCVJIRSBQN-UHFFFAOYSA-N
XLogP2.34
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethane;7-methyl-3-(1-propan-2-ylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

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Related Compounds

3-(propan-2-yl)-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyridin-6-amine
CID 50986550
3-cyclopentyl-8-methyl-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyrazine
CID 62585370
4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-ethylpiperidine
CID 70716296
4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-isobutylpiperidine
CID 70720739
1-methyl-4-[4-methyl-5-(piperidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine
CID 70721637
4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-isopropylpiperidine
CID 70763733
4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-methylpiperidine
CID 70786737
1-({5-[1-(cyclopropylmethyl)piperidin-4-yl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)-4-methylpiperazine
CID 72876363
1-{[5-(1-cyclohexylpiperidin-4-yl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-4-methylpiperazine
CID 72918299
N-propan-2-yl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carboxamide
CID 118740591
2-(5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyridin-3-yl)piperidine
CID 50986273
4-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}piperidine
CID 75355416

Frequently Asked Questions

What is the IUPAC name of ethane;7-methyl-3-(1-propan-2-ylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of ethane;7-methyl-3-(1-propan-2-ylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 178034011) is ethane;7-methyl-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 ethane;7-methyl-3-(1-propan-2-ylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for ethane;7-methyl-3-(1-propan-2-ylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is CC.CC(C)N1CCC(c2nnc3n2CCN(C)C3)CC1.
What is the InChIKey of ethane;7-methyl-3-(1-propan-2-ylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is MVBJJCVJIRSBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5.C2H6/c1-11(2)18-6-4-12(5-7-18)14-16-15-13-10-17(3)8-9-19(13)14;1-2/h11-12H,4-10H2,1-3H3;1-2H3.
What are the key properties of ethane;7-methyl-3-(1-propan-2-ylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
ethane;7-methyl-3-(1-propan-2-ylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 293.46 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methyl-3-(1-propan-2-ylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 178034011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).