N-(1-ethoxypropan-2-yl)-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

C12H23N7O — CID 80903537

IUPACN-(1-ethoxypropan-2-yl)-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCCOCC(C)Nc1nc(NN)nc(N2CCCC2)n1
InChIInChI=1S/C12H23N7O/c1-3-20-8-9(2)14-10-15-11(18-13)17-12(16-10)19-6-4-5-7-19/h9H,3-8,13H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyNJGYMPADWXXWKN-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.59
Rot. Bonds7

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

N-(1-ethoxypropan-2-yl)-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 80903537) has the molecular formula C12H23N7O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(1-ethoxypropan-2-yl)-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(1-ethoxypropan-2-yl)-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID80903537
Molecular FormulaC12H23N7O
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC NameN-(1-ethoxypropan-2-yl)-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCCOCC(C)Nc1nc(NN)nc(N2CCCC2)n1
InChIInChI=1S/C12H23N7O/c1-3-20-8-9(2)14-10-15-11(18-13)17-12(16-10)19-6-4-5-7-19/h9H,3-8,13H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyNJGYMPADWXXWKN-UHFFFAOYSA-N
XLogP0.59
TPSA101.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.59
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'}

Analyze N-(1-ethoxypropan-2-yl)-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-(1-ethoxypropan-2-yl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80793614
[4-(1-ethoxypropan-2-yloxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 103491759
N-(1-cyclopropylpropan-2-yl)-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80911324
N-ethyl-4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80932196
2-N-(3-ethylpentan-2-yl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80818552
N-(2,2-dimethylpropyl)-4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80899003
2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80779410
N-propan-2-yl-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 623866
N-ethyl-4-hydrazinyl-6-piperidin-1-yl-N-propan-2-yl-1,3,5-triazin-2-amine
CID 80944115
2-N-pentan-2-yl-4-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80751148
2-N-(4-methylhexan-2-yl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80829230
1-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methoxypropan-2-ol
CID 80912177

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxypropan-2-yl)-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-(1-ethoxypropan-2-yl)-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 80903537) is N-(1-ethoxypropan-2-yl)-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(1-ethoxypropan-2-yl)-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(1-ethoxypropan-2-yl)-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is CCOCC(C)Nc1nc(NN)nc(N2CCCC2)n1.
What is the InChIKey of N-(1-ethoxypropan-2-yl)-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is NJGYMPADWXXWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N7O/c1-3-20-8-9(2)14-10-15-11(18-13)17-12(16-10)19-6-4-5-7-19/h9H,3-8,13H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of N-(1-ethoxypropan-2-yl)-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
N-(1-ethoxypropan-2-yl)-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 281.36 g/mol, XLogP of 0.59, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxypropan-2-yl)-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80903537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).