6-[(1S)-cyclohex-3-en-1-yl]-1,3,5-triazine-2,4-diamine

C9H13N5 — CID 40549367

IUPAC6-[(1S)-cyclohex-3-en-1-yl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc([C@@H]2CC=CCC2)n1
InChIInChI=1S/C9H13N5/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H4,10,11,12,13,14)/t6-/m1/s1
InChIKeyPAHZSJACSRPPOI-ZCFIWIBFSA-N
MW191.24 g/mol
LogP0.86
Rot. Bonds1

About 6-[(1S)-cyclohex-3-en-1-yl]-1,3,5-triazine-2,4-diamine

6-[(1S)-cyclohex-3-en-1-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 40549367) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is 6-[(1S)-cyclohex-3-en-1-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(1S)-cyclohex-3-en-1-yl]-1,3,5-triazine-2,4-diamine
PubChem CID40549367
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC Name6-[(1S)-cyclohex-3-en-1-yl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc([C@@H]2CC=CCC2)n1
InChIInChI=1S/C9H13N5/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H4,10,11,12,13,14)/t6-/m1/s1
InChIKeyPAHZSJACSRPPOI-ZCFIWIBFSA-N
XLogP0.86
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-Cyclohex-2-en-1-yl-1,3,5-triazine-2,4-diamine
CID 220909
6-[(1S)-cyclohex-2-en-1-yl]-1,3,5-triazine-2,4-diamine
CID 73346433
6-(4-Pentenyl)-1,3,5-triazine-2,4-diamine
CID 89613
6-(Bicyclo[2.2.1]hept-5-en-2-yl)-1,3,5-triazine-2,4-diamine
CID 348503
6-(7-Propan-2-yl-2-bicyclo[2.2.1]hept-5-enyl)-1,3,5-triazine-2,4-diamine
CID 21221887
6-(3-Methyl-2-bicyclo[2.2.1]hept-5-enyl)-1,3,5-triazine-2,4-diamine
CID 21221890
6-(2-Methyl-2-bicyclo[2.2.1]hept-5-enyl)-1,3,5-triazine-2,4-diamine
CID 21221893
6-(7-Methyl-2-bicyclo[2.2.1]hept-5-enyl)-1,3,5-triazine-2,4-diamine
CID 21221900
2,4,6-Tri(cyclohex-2-en-1-yl)-1,3,5-triazine
CID 70020317
2-Cyclohex-2-en-1-yl-1,3,5-triazine
CID 70120396
2-Cyclohex-2-en-1-yl-4-cyclohex-3-en-1-yl-6-cyclohexyl-1,3,5-triazine
CID 132092799
6-[(6E)-octa-1,6-dien-4-yl]-1,3,5-triazine-2,4-diamine
CID 140132934

Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-cyclohex-3-en-1-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(1S)-cyclohex-3-en-1-yl]-1,3,5-triazine-2,4-diamine (CID 40549367) is 6-[(1S)-cyclohex-3-en-1-yl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(1S)-cyclohex-3-en-1-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(1S)-cyclohex-3-en-1-yl]-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc([C@@H]2CC=CCC2)n1.
What is the InChIKey of 6-[(1S)-cyclohex-3-en-1-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is PAHZSJACSRPPOI-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H13N5/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H4,10,11,12,13,14)/t6-/m1/s1.
What are the key properties of 6-[(1S)-cyclohex-3-en-1-yl]-1,3,5-triazine-2,4-diamine?
6-[(1S)-cyclohex-3-en-1-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 191.24 g/mol, XLogP of 0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-cyclohex-3-en-1-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 40549367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).