(3-methyltriazol-4-yl)-(1,3-thiazol-4-yl)methanamine

C7H9N5S — CID 114688732

IUPAC(3-methyltriazol-4-yl)-(1,3-thiazol-4-yl)methanamine
SMILESCn1nncc1C(N)c1cscn1
InChIInChI=1S/C7H9N5S/c1-12-6(2-10-11-12)7(8)5-3-13-4-9-5/h2-4,7H,8H2,1H3
InChIKeyDIARZQFARWXLIV-UHFFFAOYSA-N
MW195.25 g/mol
LogP0.32
Rot. Bonds2

About (3-methyltriazol-4-yl)-(1,3-thiazol-4-yl)methanamine

(3-methyltriazol-4-yl)-(1,3-thiazol-4-yl)methanamine (PubChem CID 114688732) has the molecular formula C7H9N5S and a molecular weight of 195.25 g/mol. Its IUPAC name is (3-methyltriazol-4-yl)-(1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound Name(3-methyltriazol-4-yl)-(1,3-thiazol-4-yl)methanamine
PubChem CID114688732
Molecular FormulaC7H9N5S
Molecular Weight195.25 g/mol
Exact Mass195.06
IUPAC Name(3-methyltriazol-4-yl)-(1,3-thiazol-4-yl)methanamine
SMILESCn1nncc1C(N)c1cscn1
InChIInChI=1S/C7H9N5S/c1-12-6(2-10-11-12)7(8)5-3-13-4-9-5/h2-4,7H,8H2,1H3
InChIKeyDIARZQFARWXLIV-UHFFFAOYSA-N
XLogP0.32
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1,4-dimethylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanamine
CID 130527433
(3-methyltriazol-4-yl)-(1,3-thiazol-5-yl)methanamine
CID 114688710
1H-imidazol-2-yl-(3-methyltriazol-4-yl)methanamine
CID 114688680
(5-amino-1-methylpyrazol-4-yl)-(1,3-thiazol-4-yl)methanol
CID 130670447
(2,5-dichlorothiophen-3-yl)-(3-methyltriazol-4-yl)methanamine
CID 107969143
(3-phenyltriazol-4-yl)-(1,3-thiazol-4-yl)methanol
CID 114685473
(3-chloro-2-pyridinyl)-(3-methyltriazol-4-yl)methanamine
CID 103443748
2-(3-methyltriazol-4-yl)propan-1-amine
CID 114691377
(2-chlorophenyl)-(3-methyltriazol-4-yl)methanamine
CID 114687461
(1S)-2-methyl-1-(1,3-thiazol-4-yl)propan-1-amine
CID 82416070
(4-methoxyphenyl)-(3-methyltriazol-4-yl)methanamine
CID 114686850
3-methyl-1-(3-methyltriazol-4-yl)butan-1-amine
CID 114686985

Frequently Asked Questions

What is the IUPAC name of (3-methyltriazol-4-yl)-(1,3-thiazol-4-yl)methanamine?
The IUPAC name of (3-methyltriazol-4-yl)-(1,3-thiazol-4-yl)methanamine (CID 114688732) is (3-methyltriazol-4-yl)-(1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for (3-methyltriazol-4-yl)-(1,3-thiazol-4-yl)methanamine?
The canonical SMILES for (3-methyltriazol-4-yl)-(1,3-thiazol-4-yl)methanamine is Cn1nncc1C(N)c1cscn1.
What is the InChIKey of (3-methyltriazol-4-yl)-(1,3-thiazol-4-yl)methanamine?
The InChIKey is DIARZQFARWXLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5S/c1-12-6(2-10-11-12)7(8)5-3-13-4-9-5/h2-4,7H,8H2,1H3.
What are the key properties of (3-methyltriazol-4-yl)-(1,3-thiazol-4-yl)methanamine?
(3-methyltriazol-4-yl)-(1,3-thiazol-4-yl)methanamine has a molecular weight of 195.25 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyltriazol-4-yl)-(1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 114688732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).