3-[amino(methyl)amino]-6-[1-(azetidin-3-yl)pyrazol-4-yl]-N-(1H-thieno[2,3-d]pyrazol-5-ylmethyl)pyrazin-2-amine

C17H20N10S — CID 139321181

IUPAC3-[amino(methyl)amino]-6-[1-(azetidin-3-yl)pyrazol-4-yl]-N-(1H-thieno[2,3-d]pyrazol-5-ylmethyl)pyrazin-2-amine
SMILESCN(N)c1ncc(-c2cnn(C3CNC3)c2)nc1NCc1cc2[nH]ncc2s1
InChIInChI=1S/C17H20N10S/c1-26(18)17-16(20-6-12-2-13-15(28-12)8-22-25-13)24-14(7-21-17)10-3-23-27(9-10)11-4-19-5-11/h2-3,7-9,11,19H,4-6,18H2,1H3,(H,20,24)(H,22,25)
InChIKeyDXHBEDQLVKIERN-UHFFFAOYSA-N
MW396.48 g/mol
LogP1.34
Rot. Bonds6

About 3-[amino(methyl)amino]-6-[1-(azetidin-3-yl)pyrazol-4-yl]-N-(1H-thieno[2,3-d]pyrazol-5-ylmethyl)pyrazin-2-amine

3-[amino(methyl)amino]-6-[1-(azetidin-3-yl)pyrazol-4-yl]-N-(1H-thieno[2,3-d]pyrazol-5-ylmethyl)pyrazin-2-amine (PubChem CID 139321181) has the molecular formula C17H20N10S and a molecular weight of 396.48 g/mol. Its IUPAC name is 3-[amino(methyl)amino]-6-[1-(azetidin-3-yl)pyrazol-4-yl]-N-(1H-thieno[2,3-d]pyrazol-5-ylmethyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-[amino(methyl)amino]-6-[1-(azetidin-3-yl)pyrazol-4-yl]-N-(1H-thieno[2,3-d]pyrazol-5-ylmethyl)pyrazin-2-amine
PubChem CID139321181
Molecular FormulaC17H20N10S
Molecular Weight396.48 g/mol
Exact Mass396.16
IUPAC Name3-[amino(methyl)amino]-6-[1-(azetidin-3-yl)pyrazol-4-yl]-N-(1H-thieno[2,3-d]pyrazol-5-ylmethyl)pyrazin-2-amine
SMILESCN(N)c1ncc(-c2cnn(C3CNC3)c2)nc1NCc1cc2[nH]ncc2s1
InChIInChI=1S/C17H20N10S/c1-26(18)17-16(20-6-12-2-13-15(28-12)8-22-25-13)24-14(7-21-17)10-3-23-27(9-10)11-4-19-5-11/h2-3,7-9,11,19H,4-6,18H2,1H3,(H,20,24)(H,22,25)
InChIKeyDXHBEDQLVKIERN-UHFFFAOYSA-N
XLogP1.34
TPSA125.60 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 51.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[amino(methyl)amino]-6-[1-(azetidin-3-yl)pyrazol-4-yl]-N-(1H-thieno[2,3-d]pyrazol-5-ylmethyl)pyrazin-2-amine?
The IUPAC name of 3-[amino(methyl)amino]-6-[1-(azetidin-3-yl)pyrazol-4-yl]-N-(1H-thieno[2,3-d]pyrazol-5-ylmethyl)pyrazin-2-amine (CID 139321181) is 3-[amino(methyl)amino]-6-[1-(azetidin-3-yl)pyrazol-4-yl]-N-(1H-thieno[2,3-d]pyrazol-5-ylmethyl)pyrazin-2-amine.
What is the SMILES notation for 3-[amino(methyl)amino]-6-[1-(azetidin-3-yl)pyrazol-4-yl]-N-(1H-thieno[2,3-d]pyrazol-5-ylmethyl)pyrazin-2-amine?
The canonical SMILES for 3-[amino(methyl)amino]-6-[1-(azetidin-3-yl)pyrazol-4-yl]-N-(1H-thieno[2,3-d]pyrazol-5-ylmethyl)pyrazin-2-amine is CN(N)c1ncc(-c2cnn(C3CNC3)c2)nc1NCc1cc2[nH]ncc2s1.
What is the InChIKey of 3-[amino(methyl)amino]-6-[1-(azetidin-3-yl)pyrazol-4-yl]-N-(1H-thieno[2,3-d]pyrazol-5-ylmethyl)pyrazin-2-amine?
The InChIKey is DXHBEDQLVKIERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N10S/c1-26(18)17-16(20-6-12-2-13-15(28-12)8-22-25-13)24-14(7-21-17)10-3-23-27(9-10)11-4-19-5-11/h2-3,7-9,11,19H,4-6,18H2,1H3,(H,20,24)(H,22,25).
What are the key properties of 3-[amino(methyl)amino]-6-[1-(azetidin-3-yl)pyrazol-4-yl]-N-(1H-thieno[2,3-d]pyrazol-5-ylmethyl)pyrazin-2-amine?
3-[amino(methyl)amino]-6-[1-(azetidin-3-yl)pyrazol-4-yl]-N-(1H-thieno[2,3-d]pyrazol-5-ylmethyl)pyrazin-2-amine has a molecular weight of 396.48 g/mol, XLogP of 1.34, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino(methyl)amino]-6-[1-(azetidin-3-yl)pyrazol-4-yl]-N-(1H-thieno[2,3-d]pyrazol-5-ylmethyl)pyrazin-2-amine is sourced from PubChem (CID 139321181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).