4-hydrazinyl-6-propan-2-yloxy-N-(1-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine

C13H20N6OS — CID 80901589

IUPAC4-hydrazinyl-6-propan-2-yloxy-N-(1-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine
SMILESCCC(Nc1nc(NN)nc(OC(C)C)n1)c1cccs1
InChIInChI=1S/C13H20N6OS/c1-4-9(10-6-5-7-21-10)15-11-16-12(19-14)18-13(17-11)20-8(2)3/h5-9H,4,14H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyKLZNSCXBDUPIJI-UHFFFAOYSA-N
MW308.41 g/mol
LogP2.57
Rot. Bonds7

About 4-hydrazinyl-6-propan-2-yloxy-N-(1-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine

4-hydrazinyl-6-propan-2-yloxy-N-(1-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine (PubChem CID 80901589) has the molecular formula C13H20N6OS and a molecular weight of 308.41 g/mol. Its IUPAC name is 4-hydrazinyl-6-propan-2-yloxy-N-(1-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-hydrazinyl-6-propan-2-yloxy-N-(1-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine
PubChem CID80901589
Molecular FormulaC13H20N6OS
Molecular Weight308.41 g/mol
Exact Mass308.14
IUPAC Name4-hydrazinyl-6-propan-2-yloxy-N-(1-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine
SMILESCCC(Nc1nc(NN)nc(OC(C)C)n1)c1cccs1
InChIInChI=1S/C13H20N6OS/c1-4-9(10-6-5-7-21-10)15-11-16-12(19-14)18-13(17-11)20-8(2)3/h5-9H,4,14H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyKLZNSCXBDUPIJI-UHFFFAOYSA-N
XLogP2.57
TPSA97.98 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-hydrazinyl-6-methoxy-N-(1-thiophen-2-ylbutyl)-1,3,5-triazin-2-amine
CID 80897742
N-(3-ethylpentan-2-yl)-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80910560
N-hexan-3-yl-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80907736
N-[(3-ethylthiophen-2-yl)methyl]-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80929885
6-hydrazinyl-2,5-dimethyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
CID 80896820
4-N-methyl-6-propan-2-yloxy-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80813456
2-N,2-N-dimethyl-4-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine
CID 80807202
6-hydrazinyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
CID 80896972
4-ethoxy-6-methyl-N-(1-thiophen-2-ylpropyl)pyrimidin-2-amine
CID 112637254
2-N,2-N-dimethyl-6-propan-2-yl-4-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4-diamine
CID 133418780
4-chloro-N-(1-phenylpropyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62864367
4-hydrazinyl-N-[(2-methylphenyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80898763

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-6-propan-2-yloxy-N-(1-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-hydrazinyl-6-propan-2-yloxy-N-(1-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine (CID 80901589) is 4-hydrazinyl-6-propan-2-yloxy-N-(1-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-hydrazinyl-6-propan-2-yloxy-N-(1-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-hydrazinyl-6-propan-2-yloxy-N-(1-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine is CCC(Nc1nc(NN)nc(OC(C)C)n1)c1cccs1.
What is the InChIKey of 4-hydrazinyl-6-propan-2-yloxy-N-(1-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine?
The InChIKey is KLZNSCXBDUPIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6OS/c1-4-9(10-6-5-7-21-10)15-11-16-12(19-14)18-13(17-11)20-8(2)3/h5-9H,4,14H2,1-3H3,(H2,15,16,17,18,19).
What are the key properties of 4-hydrazinyl-6-propan-2-yloxy-N-(1-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine?
4-hydrazinyl-6-propan-2-yloxy-N-(1-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine has a molecular weight of 308.41 g/mol, XLogP of 2.57, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-6-propan-2-yloxy-N-(1-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80901589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).