1-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methoxypropan-2-ol

C11H21N7O2 — CID 80912177

IUPAC1-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methoxypropan-2-ol
SMILESCOCC(O)CNc1nc(NN)nc(N2CCCC2)n1
InChIInChI=1S/C11H21N7O2/c1-20-7-8(19)6-13-9-14-10(17-12)16-11(15-9)18-4-2-3-5-18/h8,19H,2-7,12H2,1H3,(H2,13,14,15,16,17)
InChIKeyNWADKYOBXURCND-UHFFFAOYSA-N
MW283.34 g/mol
LogP-0.82
Rot. Bonds7

About 1-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methoxypropan-2-ol

1-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methoxypropan-2-ol (PubChem CID 80912177) has the molecular formula C11H21N7O2 and a molecular weight of 283.34 g/mol. Its IUPAC name is 1-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methoxypropan-2-ol
PubChem CID80912177
Molecular FormulaC11H21N7O2
Molecular Weight283.34 g/mol
Exact Mass283.18
IUPAC Name1-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methoxypropan-2-ol
SMILESCOCC(O)CNc1nc(NN)nc(N2CCCC2)n1
InChIInChI=1S/C11H21N7O2/c1-20-7-8(19)6-13-9-14-10(17-12)16-11(15-9)18-4-2-3-5-18/h8,19H,2-7,12H2,1H3,(H2,13,14,15,16,17)
InChIKeyNWADKYOBXURCND-UHFFFAOYSA-N
XLogP-0.82
TPSA121.45 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 5-0.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 1-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methoxypropan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

1-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methoxypropan-2-ol
CID 80835362
1-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methoxypropan-2-ol
CID 80911229
3-[(4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol
CID 80915279
4-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1-methoxybutan-2-ol
CID 106248707
3-[[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]pentan-1-ol
CID 80929099
N-(2,2-dimethylpropyl)-4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80899003
N-ethyl-4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80932196
2-[(4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]ethyl carbamate
CID 83206301
3-[(4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80942778
1-[[4-(ethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]propan-2-ol
CID 80779055
4-hydrazinyl-N-(4-methylpentyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80904327
5-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]pentan-1-ol
CID 107324353

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methoxypropan-2-ol (CID 80912177) is 1-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methoxypropan-2-ol is COCC(O)CNc1nc(NN)nc(N2CCCC2)n1.
What is the InChIKey of 1-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methoxypropan-2-ol?
The InChIKey is NWADKYOBXURCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N7O2/c1-20-7-8(19)6-13-9-14-10(17-12)16-11(15-9)18-4-2-3-5-18/h8,19H,2-7,12H2,1H3,(H2,13,14,15,16,17).
What are the key properties of 1-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methoxypropan-2-ol?
1-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methoxypropan-2-ol has a molecular weight of 283.34 g/mol, XLogP of -0.82, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methoxypropan-2-ol is sourced from PubChem (CID 80912177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).