(3,7-dimethyl-2H-indazol-6-yl)methanamine

C10H13N3 — CID 117109635

IUPAC(3,7-dimethyl-2H-indazol-6-yl)methanamine
SMILESCc1[nH]nc2c(C)c(CN)ccc12
InChIInChI=1S/C10H13N3/c1-6-8(5-11)3-4-9-7(2)12-13-10(6)9/h3-4H,5,11H2,1-2H3,(H,12,13)
InChIKeyNYPSTYKCWSZWPV-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.64
Rot. Bonds1

About (3,7-dimethyl-2H-indazol-6-yl)methanamine

(3,7-dimethyl-2H-indazol-6-yl)methanamine (PubChem CID 117109635) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is (3,7-dimethyl-2H-indazol-6-yl)methanamine.

Molecular Properties

Compound Name(3,7-dimethyl-2H-indazol-6-yl)methanamine
PubChem CID117109635
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name(3,7-dimethyl-2H-indazol-6-yl)methanamine
SMILESCc1[nH]nc2c(C)c(CN)ccc12
InChIInChI=1S/C10H13N3/c1-6-8(5-11)3-4-9-7(2)12-13-10(6)9/h3-4H,5,11H2,1-2H3,(H,12,13)
InChIKeyNYPSTYKCWSZWPV-UHFFFAOYSA-N
XLogP1.64
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,7-dimethyl-2H-indazol-6-yl)methanamine?
The IUPAC name of (3,7-dimethyl-2H-indazol-6-yl)methanamine (CID 117109635) is (3,7-dimethyl-2H-indazol-6-yl)methanamine.
What is the SMILES notation for (3,7-dimethyl-2H-indazol-6-yl)methanamine?
The canonical SMILES for (3,7-dimethyl-2H-indazol-6-yl)methanamine is Cc1[nH]nc2c(C)c(CN)ccc12.
What is the InChIKey of (3,7-dimethyl-2H-indazol-6-yl)methanamine?
The InChIKey is NYPSTYKCWSZWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-6-8(5-11)3-4-9-7(2)12-13-10(6)9/h3-4H,5,11H2,1-2H3,(H,12,13).
What are the key properties of (3,7-dimethyl-2H-indazol-6-yl)methanamine?
(3,7-dimethyl-2H-indazol-6-yl)methanamine has a molecular weight of 175.23 g/mol, XLogP of 1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,7-dimethyl-2H-indazol-6-yl)methanamine is sourced from PubChem (CID 117109635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).