(3-propyltriazol-4-yl)-(thiadiazol-4-yl)methanamine

C8H12N6S — CID 105182120

IUPAC(3-propyltriazol-4-yl)-(thiadiazol-4-yl)methanamine
SMILESCCCn1nncc1C(N)c1csnn1
InChIInChI=1S/C8H12N6S/c1-2-3-14-7(4-10-12-14)8(9)6-5-15-13-11-6/h4-5,8H,2-3,9H2,1H3
InChIKeyPKQDSUJCMFCWQE-UHFFFAOYSA-N
MW224.29 g/mol
LogP0.59
Rot. Bonds4

About (3-propyltriazol-4-yl)-(thiadiazol-4-yl)methanamine

(3-propyltriazol-4-yl)-(thiadiazol-4-yl)methanamine (PubChem CID 105182120) has the molecular formula C8H12N6S and a molecular weight of 224.29 g/mol. Its IUPAC name is (3-propyltriazol-4-yl)-(thiadiazol-4-yl)methanamine.

Molecular Properties

Compound Name(3-propyltriazol-4-yl)-(thiadiazol-4-yl)methanamine
PubChem CID105182120
Molecular FormulaC8H12N6S
Molecular Weight224.29 g/mol
Exact Mass224.08
IUPAC Name(3-propyltriazol-4-yl)-(thiadiazol-4-yl)methanamine
SMILESCCCn1nncc1C(N)c1csnn1
InChIInChI=1S/C8H12N6S/c1-2-3-14-7(4-10-12-14)8(9)6-5-15-13-11-6/h4-5,8H,2-3,9H2,1H3
InChIKeyPKQDSUJCMFCWQE-UHFFFAOYSA-N
XLogP0.59
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3-propyltriazol-4-yl)-pyrazin-2-ylmethanamine
CID 114687030
1-(3-propyltriazol-4-yl)ethanamine
CID 114687009
(3-propyltriazol-4-yl)-pyrimidin-4-ylmethanamine
CID 114687777
(5-methylpyrimidin-2-yl)-(3-propyltriazol-4-yl)methanamine
CID 114688940
(1,3-dimethylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanamine
CID 102804469
furan-3-yl-(3-propyltriazol-4-yl)methanamine
CID 114687789
(3-ethyl-1-methylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanamine
CID 102812830
(3-propyltriazol-4-yl)-(2,3,4-trifluorophenyl)methanamine
CID 105038579
(1S)-2-methoxy-1-(3-propyltriazol-4-yl)ethanamine
CID 165459865
N',N'-dimethyl-1-(3-propyltriazol-4-yl)ethane-1,2-diamine
CID 114688446
(2,4-dichlorophenyl)-(3-propyltriazol-4-yl)methanamine
CID 105038562
(2,3-difluorophenyl)-(3-propyltriazol-4-yl)methanamine
CID 105038745

Frequently Asked Questions

What is the IUPAC name of (3-propyltriazol-4-yl)-(thiadiazol-4-yl)methanamine?
The IUPAC name of (3-propyltriazol-4-yl)-(thiadiazol-4-yl)methanamine (CID 105182120) is (3-propyltriazol-4-yl)-(thiadiazol-4-yl)methanamine.
What is the SMILES notation for (3-propyltriazol-4-yl)-(thiadiazol-4-yl)methanamine?
The canonical SMILES for (3-propyltriazol-4-yl)-(thiadiazol-4-yl)methanamine is CCCn1nncc1C(N)c1csnn1.
What is the InChIKey of (3-propyltriazol-4-yl)-(thiadiazol-4-yl)methanamine?
The InChIKey is PKQDSUJCMFCWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6S/c1-2-3-14-7(4-10-12-14)8(9)6-5-15-13-11-6/h4-5,8H,2-3,9H2,1H3.
What are the key properties of (3-propyltriazol-4-yl)-(thiadiazol-4-yl)methanamine?
(3-propyltriazol-4-yl)-(thiadiazol-4-yl)methanamine has a molecular weight of 224.29 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propyltriazol-4-yl)-(thiadiazol-4-yl)methanamine is sourced from PubChem (CID 105182120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).