N-methyl-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine

C12H17N5S — CID 56906535

IUPACN-methyl-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESCN(Cc1cc2n(n1)CCNC2)Cc1nccs1
InChIInChI=1S/C12H17N5S/c1-16(9-12-14-3-5-18-12)8-10-6-11-7-13-2-4-17(11)15-10/h3,5-6,13H,2,4,7-9H2,1H3
InChIKeyIBHZJARWNSANHB-UHFFFAOYSA-N
MW263.37 g/mol
LogP1.07
Rot. Bonds4

About N-methyl-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine

N-methyl-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine (PubChem CID 56906535) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is N-methyl-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
PubChem CID56906535
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC NameN-methyl-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESCN(Cc1cc2n(n1)CCNC2)Cc1nccs1
InChIInChI=1S/C12H17N5S/c1-16(9-12-14-3-5-18-12)8-10-6-11-7-13-2-4-17(11)15-10/h3,5-6,13H,2,4,7-9H2,1H3
InChIKeyIBHZJARWNSANHB-UHFFFAOYSA-N
XLogP1.07
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The IUPAC name of N-methyl-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine (CID 56906535) is N-methyl-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine.
What is the SMILES notation for N-methyl-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The canonical SMILES for N-methyl-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine is CN(Cc1cc2n(n1)CCNC2)Cc1nccs1.
What is the InChIKey of N-methyl-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The InChIKey is IBHZJARWNSANHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c1-16(9-12-14-3-5-18-12)8-10-6-11-7-13-2-4-17(11)15-10/h3,5-6,13H,2,4,7-9H2,1H3.
What are the key properties of N-methyl-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
N-methyl-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine has a molecular weight of 263.37 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine is sourced from PubChem (CID 56906535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).