1-(6-tert-butylpyridazin-3-yl)-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea

C16H22N6O — CID 97327583

IUPAC1-(6-tert-butylpyridazin-3-yl)-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
SMILESCC(C)(C)c1ccc(NC(=O)N[C@H]2CCc3[nH]ncc3C2)nn1
InChIInChI=1S/C16H22N6O/c1-16(2,3)13-6-7-14(22-21-13)19-15(23)18-11-4-5-12-10(8-11)9-17-20-12/h6-7,9,11H,4-5,8H2,1-3H3,(H,17,20)(H2,18,19,22,23)/t11-/m0/s1
InChIKeyHVUGQAFUKMUMTD-NSHDSACASA-N
MW314.39 g/mol
LogP2.18
Rot. Bonds2

About 1-(6-tert-butylpyridazin-3-yl)-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea

1-(6-tert-butylpyridazin-3-yl)-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea (PubChem CID 97327583) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-(6-tert-butylpyridazin-3-yl)-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea.

Molecular Properties

Compound Name1-(6-tert-butylpyridazin-3-yl)-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
PubChem CID97327583
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name1-(6-tert-butylpyridazin-3-yl)-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
SMILESCC(C)(C)c1ccc(NC(=O)N[C@H]2CCc3[nH]ncc3C2)nn1
InChIInChI=1S/C16H22N6O/c1-16(2,3)13-6-7-14(22-21-13)19-15(23)18-11-4-5-12-10(8-11)9-17-20-12/h6-7,9,11H,4-5,8H2,1-3H3,(H,17,20)(H2,18,19,22,23)/t11-/m0/s1
InChIKeyHVUGQAFUKMUMTD-NSHDSACASA-N
XLogP2.18
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(6-tert-butylpyridazin-3-yl)-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea with MolForge

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Related Compounds

1-(1,5-dimethylpyrazol-3-yl)-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
CID 97327595
N-(5-methyl-2-pyridinyl)-3-[[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]carbamoylamino]propanamide
CID 124578647
1-(5-phenyl-1,2-oxazol-3-yl)-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
CID 97327533
1-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
CID 124738907
1-(2-methyl-1-phenylmethoxypropan-2-yl)-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
CID 124852777
1-(2-methyl-4-nitrophenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
CID 86804058
1-[2-(2-methylphenyl)pyrazol-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
CID 75515741
1-(2-methoxy-5-methyl-3-pyridinyl)-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
CID 97327551
2-chloro-5-(3,3-dimethylbutanoylamino)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
CID 126788691
1-(2-fluoro-5-pyrrol-1-ylphenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
CID 71909222
1-[4-(2-morpholin-4-ylethyl)phenyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
CID 126793528
1-[(2-cyclobutyloxyphenyl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
CID 75383144

Frequently Asked Questions

What is the IUPAC name of 1-(6-tert-butylpyridazin-3-yl)-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea?
The IUPAC name of 1-(6-tert-butylpyridazin-3-yl)-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea (CID 97327583) is 1-(6-tert-butylpyridazin-3-yl)-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea.
What is the SMILES notation for 1-(6-tert-butylpyridazin-3-yl)-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea?
The canonical SMILES for 1-(6-tert-butylpyridazin-3-yl)-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea is CC(C)(C)c1ccc(NC(=O)N[C@H]2CCc3[nH]ncc3C2)nn1.
What is the InChIKey of 1-(6-tert-butylpyridazin-3-yl)-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea?
The InChIKey is HVUGQAFUKMUMTD-NSHDSACASA-N. The full InChI is InChI=1S/C16H22N6O/c1-16(2,3)13-6-7-14(22-21-13)19-15(23)18-11-4-5-12-10(8-11)9-17-20-12/h6-7,9,11H,4-5,8H2,1-3H3,(H,17,20)(H2,18,19,22,23)/t11-/m0/s1.
What are the key properties of 1-(6-tert-butylpyridazin-3-yl)-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea?
1-(6-tert-butylpyridazin-3-yl)-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea has a molecular weight of 314.39 g/mol, XLogP of 2.18, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-tert-butylpyridazin-3-yl)-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea is sourced from PubChem (CID 97327583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).