1-(1H-pyrazol-4-yl)-N-(thiadiazol-4-ylmethyl)methanamine

C7H9N5S — CID 61000037

IUPAC1-(1H-pyrazol-4-yl)-N-(thiadiazol-4-ylmethyl)methanamine
SMILESc1n[nH]cc1CNCc1csnn1
InChIInChI=1S/C7H9N5S/c1(6-2-9-10-3-6)8-4-7-5-13-12-11-7/h2-3,5,8H,1,4H2,(H,9,10)
InChIKeyZCSHGGSCUKOIJH-UHFFFAOYSA-N
MW195.25 g/mol
LogP0.55
Rot. Bonds4

About 1-(1H-pyrazol-4-yl)-N-(thiadiazol-4-ylmethyl)methanamine

1-(1H-pyrazol-4-yl)-N-(thiadiazol-4-ylmethyl)methanamine (PubChem CID 61000037) has the molecular formula C7H9N5S and a molecular weight of 195.25 g/mol. Its IUPAC name is 1-(1H-pyrazol-4-yl)-N-(thiadiazol-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1H-pyrazol-4-yl)-N-(thiadiazol-4-ylmethyl)methanamine
PubChem CID61000037
Molecular FormulaC7H9N5S
Molecular Weight195.25 g/mol
Exact Mass195.06
IUPAC Name1-(1H-pyrazol-4-yl)-N-(thiadiazol-4-ylmethyl)methanamine
SMILESc1n[nH]cc1CNCc1csnn1
InChIInChI=1S/C7H9N5S/c1(6-2-9-10-3-6)8-4-7-5-13-12-11-7/h2-3,5,8H,1,4H2,(H,9,10)
InChIKeyZCSHGGSCUKOIJH-UHFFFAOYSA-N
XLogP0.55
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-4-yl)-N-(thiadiazol-4-ylmethyl)methanamine?
The IUPAC name of 1-(1H-pyrazol-4-yl)-N-(thiadiazol-4-ylmethyl)methanamine (CID 61000037) is 1-(1H-pyrazol-4-yl)-N-(thiadiazol-4-ylmethyl)methanamine.
What is the SMILES notation for 1-(1H-pyrazol-4-yl)-N-(thiadiazol-4-ylmethyl)methanamine?
The canonical SMILES for 1-(1H-pyrazol-4-yl)-N-(thiadiazol-4-ylmethyl)methanamine is c1n[nH]cc1CNCc1csnn1.
What is the InChIKey of 1-(1H-pyrazol-4-yl)-N-(thiadiazol-4-ylmethyl)methanamine?
The InChIKey is ZCSHGGSCUKOIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5S/c1(6-2-9-10-3-6)8-4-7-5-13-12-11-7/h2-3,5,8H,1,4H2,(H,9,10).
What are the key properties of 1-(1H-pyrazol-4-yl)-N-(thiadiazol-4-ylmethyl)methanamine?
1-(1H-pyrazol-4-yl)-N-(thiadiazol-4-ylmethyl)methanamine has a molecular weight of 195.25 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-4-yl)-N-(thiadiazol-4-ylmethyl)methanamine is sourced from PubChem (CID 61000037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).