(3-methyltriazol-4-yl)-(1,3-thiazol-5-yl)methanamine

C7H9N5S — CID 114688710

IUPAC(3-methyltriazol-4-yl)-(1,3-thiazol-5-yl)methanamine
SMILESCn1nncc1C(N)c1cncs1
InChIInChI=1S/C7H9N5S/c1-12-5(2-10-11-12)7(8)6-3-9-4-13-6/h2-4,7H,8H2,1H3
InChIKeyNNPWSKGCXGIYQP-UHFFFAOYSA-N
MW195.25 g/mol
LogP0.32
Rot. Bonds2

About (3-methyltriazol-4-yl)-(1,3-thiazol-5-yl)methanamine

(3-methyltriazol-4-yl)-(1,3-thiazol-5-yl)methanamine (PubChem CID 114688710) 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-5-yl)methanamine.

Molecular Properties

Compound Name(3-methyltriazol-4-yl)-(1,3-thiazol-5-yl)methanamine
PubChem CID114688710
Molecular FormulaC7H9N5S
Molecular Weight195.25 g/mol
Exact Mass195.06
IUPAC Name(3-methyltriazol-4-yl)-(1,3-thiazol-5-yl)methanamine
SMILESCn1nncc1C(N)c1cncs1
InChIInChI=1S/C7H9N5S/c1-12-5(2-10-11-12)7(8)6-3-9-4-13-6/h2-4,7H,8H2,1H3
InChIKeyNNPWSKGCXGIYQP-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

(3-methyltriazol-4-yl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 105043877
(3-methyltriazol-4-yl)-(1,3-thiazol-4-yl)methanamine
CID 114688732
2-(3-methyltriazol-4-yl)propan-1-amine
CID 114691377
(2,5-dichlorothiophen-3-yl)-(3-methyltriazol-4-yl)methanamine
CID 107969143
(1S)-1-(1,3-thiazol-5-yl)ethanamine
CID 42151701
(1R)-1-(1,3-thiazol-5-yl)ethanamine
CID 42151698
(2-chlorophenyl)-(3-methyltriazol-4-yl)methanamine
CID 114687461
(3-ethyl-4-pyridinyl)-(3-methyltriazol-4-yl)methanamine
CID 114688955
1H-imidazol-2-yl-(3-methyltriazol-4-yl)methanamine
CID 114688680
(4-methoxyphenyl)-(3-methyltriazol-4-yl)methanamine
CID 114686850
3-methyl-1-(3-methyltriazol-4-yl)butan-1-amine
CID 114686985
1-(3-methyltriazol-4-yl)-2-propylpentan-1-amine
CID 105043778

Frequently Asked Questions

What is the IUPAC name of (3-methyltriazol-4-yl)-(1,3-thiazol-5-yl)methanamine?
The IUPAC name of (3-methyltriazol-4-yl)-(1,3-thiazol-5-yl)methanamine (CID 114688710) is (3-methyltriazol-4-yl)-(1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for (3-methyltriazol-4-yl)-(1,3-thiazol-5-yl)methanamine?
The canonical SMILES for (3-methyltriazol-4-yl)-(1,3-thiazol-5-yl)methanamine is Cn1nncc1C(N)c1cncs1.
What is the InChIKey of (3-methyltriazol-4-yl)-(1,3-thiazol-5-yl)methanamine?
The InChIKey is NNPWSKGCXGIYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5S/c1-12-5(2-10-11-12)7(8)6-3-9-4-13-6/h2-4,7H,8H2,1H3.
What are the key properties of (3-methyltriazol-4-yl)-(1,3-thiazol-5-yl)methanamine?
(3-methyltriazol-4-yl)-(1,3-thiazol-5-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-5-yl)methanamine is sourced from PubChem (CID 114688710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).