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

C12H22N6O — CID 114112716

IUPACN-(2-cyclopropylpropan-2-yl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NN)nc(NC(C)(C)C2CC2)n1
InChIInChI=1S/C12H22N6O/c1-4-7-19-11-15-9(14-10(16-11)18-13)17-12(2,3)8-5-6-8/h8H,4-7,13H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyPEWQWMXDBAFMMR-UHFFFAOYSA-N
MW266.35 g/mol
LogP1.55
Rot. Bonds7

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

N-(2-cyclopropylpropan-2-yl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 114112716) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is N-(2-cyclopropylpropan-2-yl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(2-cyclopropylpropan-2-yl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
PubChem CID114112716
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC NameN-(2-cyclopropylpropan-2-yl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NN)nc(NC(C)(C)C2CC2)n1
InChIInChI=1S/C12H22N6O/c1-4-7-19-11-15-9(14-10(16-11)18-13)17-12(2,3)8-5-6-8/h8H,4-7,13H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyPEWQWMXDBAFMMR-UHFFFAOYSA-N
XLogP1.55
TPSA97.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 51.55
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

[4-(cyclopropylmethoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80912453
(4-cyclopentyloxy-6-propoxy-1,3,5-triazin-2-yl)hydrazine
CID 80909474
(4-tert-butylsulfanyl-6-propoxy-1,3,5-triazin-2-yl)hydrazine
CID 80925478
4-hydrazinyl-N-pentyl-6-propoxy-1,3,5-triazin-2-amine
CID 80932221
3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methylpropane-1,2-diol
CID 80922470
1-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methylpentan-2-ol
CID 106294543
N-(1-cyclopentylethyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
CID 80911202
3-[[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]methyl]cyclobutan-1-ol
CID 80921761
N-(2-ethoxyethyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
CID 80906653
4-hydrazinyl-6-propoxy-N-(thian-2-ylmethyl)-1,3,5-triazin-2-amine
CID 80926866
4-hydrazinyl-N-(2-methylcycloheptyl)-6-propoxy-1,3,5-triazin-2-amine
CID 80925892
[4-propoxy-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-yl]hydrazine
CID 82958871

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylpropan-2-yl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-(2-cyclopropylpropan-2-yl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine (CID 114112716) is N-(2-cyclopropylpropan-2-yl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(2-cyclopropylpropan-2-yl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-(2-cyclopropylpropan-2-yl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(NN)nc(NC(C)(C)C2CC2)n1.
What is the InChIKey of N-(2-cyclopropylpropan-2-yl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is PEWQWMXDBAFMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O/c1-4-7-19-11-15-9(14-10(16-11)18-13)17-12(2,3)8-5-6-8/h8H,4-7,13H2,1-3H3,(H2,14,15,16,17,18).
What are the key properties of N-(2-cyclopropylpropan-2-yl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine?
N-(2-cyclopropylpropan-2-yl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 266.35 g/mol, XLogP of 1.55, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylpropan-2-yl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 114112716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).