N-(1-cyclopentylethyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine

C13H24N6O — CID 80911202

IUPACN-(1-cyclopentylethyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NN)nc(NC(C)C2CCCC2)n1
InChIInChI=1S/C13H24N6O/c1-3-8-20-13-17-11(16-12(18-13)19-14)15-9(2)10-6-4-5-7-10/h9-10H,3-8,14H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyODFSNQHVSYIZBK-UHFFFAOYSA-N
MW280.38 g/mol
LogP1.94
Rot. Bonds7

About N-(1-cyclopentylethyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine

N-(1-cyclopentylethyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 80911202) has the molecular formula C13H24N6O and a molecular weight of 280.38 g/mol. Its IUPAC name is N-(1-cyclopentylethyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(1-cyclopentylethyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
PubChem CID80911202
Molecular FormulaC13H24N6O
Molecular Weight280.38 g/mol
Exact Mass280.20
IUPAC NameN-(1-cyclopentylethyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NN)nc(NC(C)C2CCCC2)n1
InChIInChI=1S/C13H24N6O/c1-3-8-20-13-17-11(16-12(18-13)19-14)15-9(2)10-6-4-5-7-10/h9-10H,3-8,14H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyODFSNQHVSYIZBK-UHFFFAOYSA-N
XLogP1.94
TPSA97.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

2-N-(1-cyclopentylethyl)-4-N-ethyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80821468
2-N-(1-cyclopropylethyl)-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80781052
2-N-(1-cyclopentylethyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80820353
N-(3-ethylpentan-2-yl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
CID 80911001
(4-cyclopentyloxy-6-propoxy-1,3,5-triazin-2-yl)hydrazine
CID 80909474
[4-(2-propan-2-yloxyethoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80911471
4-hydrazinyl-N-(2-methylcycloheptyl)-6-propoxy-1,3,5-triazin-2-amine
CID 80925892
[4-(cyclopropylmethoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80912453
[4-(3-methylbutoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80909820
3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol
CID 106358418
N-(2-cyclopropylpropan-2-yl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
CID 114112716
4-hydrazinyl-6-propoxy-N-(thian-2-ylmethyl)-1,3,5-triazin-2-amine
CID 80926866

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentylethyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-(1-cyclopentylethyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine (CID 80911202) is N-(1-cyclopentylethyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(1-cyclopentylethyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-(1-cyclopentylethyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(NN)nc(NC(C)C2CCCC2)n1.
What is the InChIKey of N-(1-cyclopentylethyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is ODFSNQHVSYIZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O/c1-3-8-20-13-17-11(16-12(18-13)19-14)15-9(2)10-6-4-5-7-10/h9-10H,3-8,14H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of N-(1-cyclopentylethyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine?
N-(1-cyclopentylethyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 280.38 g/mol, XLogP of 1.94, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentylethyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80911202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).