(6-methyl-1H-indazol-7-yl)thiourea

C9H10N4S — CID 1482588

IUPAC(6-methyl-1H-indazol-7-yl)thiourea
SMILESCc1ccc2cn[nH]c2c1NC(N)=S
InChIInChI=1S/C9H10N4S/c1-5-2-3-6-4-11-13-8(6)7(5)12-9(10)14/h2-4H,1H3,(H,11,13)(H3,10,12,14)
InChIKeyLQPCWEQFFNPLCK-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.53
Rot. Bonds1

About (6-methyl-1H-indazol-7-yl)thiourea

(6-methyl-1H-indazol-7-yl)thiourea (PubChem CID 1482588) has the molecular formula C9H10N4S and a molecular weight of 206.27 g/mol. Its IUPAC name is (6-methyl-1H-indazol-7-yl)thiourea.

Molecular Properties

Compound Name(6-methyl-1H-indazol-7-yl)thiourea
PubChem CID1482588
Molecular FormulaC9H10N4S
Molecular Weight206.27 g/mol
Exact Mass206.06
IUPAC Name(6-methyl-1H-indazol-7-yl)thiourea
SMILESCc1ccc2cn[nH]c2c1NC(N)=S
InChIInChI=1S/C9H10N4S/c1-5-2-3-6-4-11-13-8(6)7(5)12-9(10)14/h2-4H,1H3,(H,11,13)(H3,10,12,14)
InChIKeyLQPCWEQFFNPLCK-UHFFFAOYSA-N
XLogP1.53
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(6-methyl-1H-indazol-5-yl)thiourea
CID 1482600
N-(1H-indazol-6-yl)thiourea
CID 2764168
1-(1H-indazol-6-yl)-3-prop-2-enylthiourea
CID 2396742
1-(1H-indazol-6-yl)-3-phenylthiourea
CID 2396745
N-allyl-N'-(1H-indazol-4-yl)thiourea
CID 2768371
N-(1H-indazol-7-yl)thiourea
CID 1477347
6-methyl-1H-indazol-7-amine
CID 1480035
N-(1H-indazol-4-yl)thiourea
CID 3751694
N-[(6-methyl-1H-indazol-7-yl)carbamothioyl]benzamide
CID 1482584
1-butyl-3-(1H-indazol-6-yl)thiourea
CID 2396753
1-(1H-indazol-6-yl)-3-(4-methylphenyl)thiourea
CID 2396757
1-(1H-indazol-6-yl)-3-(2-methylphenyl)thiourea
CID 3893106

Frequently Asked Questions

What is the IUPAC name of (6-methyl-1H-indazol-7-yl)thiourea?
The IUPAC name of (6-methyl-1H-indazol-7-yl)thiourea (CID 1482588) is (6-methyl-1H-indazol-7-yl)thiourea.
What is the SMILES notation for (6-methyl-1H-indazol-7-yl)thiourea?
The canonical SMILES for (6-methyl-1H-indazol-7-yl)thiourea is Cc1ccc2cn[nH]c2c1NC(N)=S.
What is the InChIKey of (6-methyl-1H-indazol-7-yl)thiourea?
The InChIKey is LQPCWEQFFNPLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4S/c1-5-2-3-6-4-11-13-8(6)7(5)12-9(10)14/h2-4H,1H3,(H,11,13)(H3,10,12,14).
What are the key properties of (6-methyl-1H-indazol-7-yl)thiourea?
(6-methyl-1H-indazol-7-yl)thiourea has a molecular weight of 206.27 g/mol, XLogP of 1.53, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-1H-indazol-7-yl)thiourea is sourced from PubChem (CID 1482588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).