(2S,4S)-2-methyl-4-[(6-pyrazol-1-ylpyrazin-2-yl)amino]hexan-1-ol

C14H21N5O — CID 95783013

IUPAC(2S,4S)-2-methyl-4-[(6-pyrazol-1-ylpyrazin-2-yl)amino]hexan-1-ol
SMILESCC[C@@H](C[C@H](C)CO)Nc1cncc(-n2cccn2)n1
InChIInChI=1S/C14H21N5O/c1-3-12(7-11(2)10-20)17-13-8-15-9-14(18-13)19-6-4-5-16-19/h4-6,8-9,11-12,20H,3,7,10H2,1-2H3,(H,17,18)/t11-,12-/m0/s1
InChIKeyPYRLPUJUYNYEHN-RYUDHWBXSA-N
MW275.36 g/mol
LogP1.87
Rot. Bonds7

About (2S,4S)-2-methyl-4-[(6-pyrazol-1-ylpyrazin-2-yl)amino]hexan-1-ol

(2S,4S)-2-methyl-4-[(6-pyrazol-1-ylpyrazin-2-yl)amino]hexan-1-ol (PubChem CID 95783013) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is (2S,4S)-2-methyl-4-[(6-pyrazol-1-ylpyrazin-2-yl)amino]hexan-1-ol.

Molecular Properties

Compound Name(2S,4S)-2-methyl-4-[(6-pyrazol-1-ylpyrazin-2-yl)amino]hexan-1-ol
PubChem CID95783013
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name(2S,4S)-2-methyl-4-[(6-pyrazol-1-ylpyrazin-2-yl)amino]hexan-1-ol
SMILESCC[C@@H](C[C@H](C)CO)Nc1cncc(-n2cccn2)n1
InChIInChI=1S/C14H21N5O/c1-3-12(7-11(2)10-20)17-13-8-15-9-14(18-13)19-6-4-5-16-19/h4-6,8-9,11-12,20H,3,7,10H2,1-2H3,(H,17,18)/t11-,12-/m0/s1
InChIKeyPYRLPUJUYNYEHN-RYUDHWBXSA-N
XLogP1.87
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-4-[(6-pyrazol-1-ylpyrazin-2-yl)amino]hexan-1-ol?
The IUPAC name of (2S,4S)-2-methyl-4-[(6-pyrazol-1-ylpyrazin-2-yl)amino]hexan-1-ol (CID 95783013) is (2S,4S)-2-methyl-4-[(6-pyrazol-1-ylpyrazin-2-yl)amino]hexan-1-ol.
What is the SMILES notation for (2S,4S)-2-methyl-4-[(6-pyrazol-1-ylpyrazin-2-yl)amino]hexan-1-ol?
The canonical SMILES for (2S,4S)-2-methyl-4-[(6-pyrazol-1-ylpyrazin-2-yl)amino]hexan-1-ol is CC[C@@H](C[C@H](C)CO)Nc1cncc(-n2cccn2)n1.
What is the InChIKey of (2S,4S)-2-methyl-4-[(6-pyrazol-1-ylpyrazin-2-yl)amino]hexan-1-ol?
The InChIKey is PYRLPUJUYNYEHN-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H21N5O/c1-3-12(7-11(2)10-20)17-13-8-15-9-14(18-13)19-6-4-5-16-19/h4-6,8-9,11-12,20H,3,7,10H2,1-2H3,(H,17,18)/t11-,12-/m0/s1.
What are the key properties of (2S,4S)-2-methyl-4-[(6-pyrazol-1-ylpyrazin-2-yl)amino]hexan-1-ol?
(2S,4S)-2-methyl-4-[(6-pyrazol-1-ylpyrazin-2-yl)amino]hexan-1-ol has a molecular weight of 275.36 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-4-[(6-pyrazol-1-ylpyrazin-2-yl)amino]hexan-1-ol is sourced from PubChem (CID 95783013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).