6-propan-2-yl-2,3,4,5-tetrahydro-1,2,4-triazine

C6H13N3 — CID 171420467

IUPAC6-propan-2-yl-2,3,4,5-tetrahydro-1,2,4-triazine
SMILESCC(C)C1=NNCNC1
InChIInChI=1S/C6H13N3/c1-5(2)6-3-7-4-8-9-6/h5,7-8H,3-4H2,1-2H3
InChIKeyZGWLVRAZPOVPID-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.15
Rot. Bonds1

About 6-propan-2-yl-2,3,4,5-tetrahydro-1,2,4-triazine

6-propan-2-yl-2,3,4,5-tetrahydro-1,2,4-triazine (PubChem CID 171420467) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is 6-propan-2-yl-2,3,4,5-tetrahydro-1,2,4-triazine.

Molecular Properties

Compound Name6-propan-2-yl-2,3,4,5-tetrahydro-1,2,4-triazine
PubChem CID171420467
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name6-propan-2-yl-2,3,4,5-tetrahydro-1,2,4-triazine
SMILESCC(C)C1=NNCNC1
InChIInChI=1S/C6H13N3/c1-5(2)6-3-7-4-8-9-6/h5,7-8H,3-4H2,1-2H3
InChIKeyZGWLVRAZPOVPID-UHFFFAOYSA-N
XLogP0.15
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-propan-2-yl-4,5-dihydro-1H-pyrazole
CID 58111212
3,5-di(propan-2-yl)-4H-pyrazole
CID 58961217
1,4-di(propan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine
CID 177071182
4-ethyl-2-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742482
2-butan-2-yl-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741302
1-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64856079
ethane;2-methyl-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 176927423
aziridine;1,1-dibromoethane
CID 175898882
2-butan-2-yl-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742839
2-cycloheptyl-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741398
2,4-di(propan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742866
4-propan-2-yl-2,5-dihydro-1,3-oxazole
CID 22898643

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-2,3,4,5-tetrahydro-1,2,4-triazine?
The IUPAC name of 6-propan-2-yl-2,3,4,5-tetrahydro-1,2,4-triazine (CID 171420467) is 6-propan-2-yl-2,3,4,5-tetrahydro-1,2,4-triazine.
What is the SMILES notation for 6-propan-2-yl-2,3,4,5-tetrahydro-1,2,4-triazine?
The canonical SMILES for 6-propan-2-yl-2,3,4,5-tetrahydro-1,2,4-triazine is CC(C)C1=NNCNC1.
What is the InChIKey of 6-propan-2-yl-2,3,4,5-tetrahydro-1,2,4-triazine?
The InChIKey is ZGWLVRAZPOVPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3/c1-5(2)6-3-7-4-8-9-6/h5,7-8H,3-4H2,1-2H3.
What are the key properties of 6-propan-2-yl-2,3,4,5-tetrahydro-1,2,4-triazine?
6-propan-2-yl-2,3,4,5-tetrahydro-1,2,4-triazine has a molecular weight of 127.19 g/mol, XLogP of 0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-2,3,4,5-tetrahydro-1,2,4-triazine is sourced from PubChem (CID 171420467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).