(2S)-2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol

C9H18N6O2 — CID 80923491

IUPAC(2S)-2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol
SMILESCOc1nc(NN)nc(N[C@H](CO)C(C)C)n1
InChIInChI=1S/C9H18N6O2/c1-5(2)6(4-16)11-7-12-8(15-10)14-9(13-7)17-3/h5-6,16H,4,10H2,1-3H3,(H2,11,12,13,14,15)/t6-/m1/s1
InChIKeyUQFWSESVZTVWMV-ZCFIWIBFSA-N
MW242.28 g/mol
LogP-0.41
Rot. Bonds6

About (2S)-2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol

(2S)-2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol (PubChem CID 80923491) has the molecular formula C9H18N6O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is (2S)-2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol
PubChem CID80923491
Molecular FormulaC9H18N6O2
Molecular Weight242.28 g/mol
Exact Mass242.15
IUPAC Name(2S)-2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol
SMILESCOc1nc(NN)nc(N[C@H](CO)C(C)C)n1
InChIInChI=1S/C9H18N6O2/c1-5(2)6(4-16)11-7-12-8(15-10)14-9(13-7)17-3/h5-6,16H,4,10H2,1-3H3,(H2,11,12,13,14,15)/t6-/m1/s1
InChIKeyUQFWSESVZTVWMV-ZCFIWIBFSA-N
XLogP-0.41
TPSA118.21 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-0.41
H-Bond Donors ≤ 54
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 (2S)-2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol with MolForge

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Related Compounds

(2S)-2-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol
CID 80922548
2-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-methylbutane-1,2-diamine
CID 65192396
2-[(4,6-dimethoxypyrimidin-2-yl)amino]-3-methylbutan-1-ol
CID 113292972
4-ethoxy-6-hydrazinyl-N-(1-methoxy-3-methylbutan-2-yl)-1,3,5-triazin-2-amine
CID 80915837
3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol
CID 106358418
N-ethyl-2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]propanamide
CID 80897706
3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol
CID 106350623
2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutan-1-ol
CID 112638162
(2S)-2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 80923311
N-(dicyclopropylmethyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80897026
(2S)-2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol
CID 80849068
2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-methylbutan-1-ol
CID 79246753

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol (CID 80923491) is (2S)-2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol is COc1nc(NN)nc(N[C@H](CO)C(C)C)n1.
What is the InChIKey of (2S)-2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol?
The InChIKey is UQFWSESVZTVWMV-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H18N6O2/c1-5(2)6(4-16)11-7-12-8(15-10)14-9(13-7)17-3/h5-6,16H,4,10H2,1-3H3,(H2,11,12,13,14,15)/t6-/m1/s1.
What are the key properties of (2S)-2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol?
(2S)-2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol has a molecular weight of 242.28 g/mol, XLogP of -0.41, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol is sourced from PubChem (CID 80923491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).