3-[1-(1-methylpyrazol-4-yl)triazol-4-yl]propan-1-amine

C9H14N6 — CID 106220596

IUPAC3-[1-(1-methylpyrazol-4-yl)triazol-4-yl]propan-1-amine
SMILESCn1cc(-n2cc(CCCN)nn2)cn1
InChIInChI=1S/C9H14N6/c1-14-7-9(5-11-14)15-6-8(12-13-15)3-2-4-10/h5-7H,2-4,10H2,1H3
InChIKeyABFRFORCJKGXHH-UHFFFAOYSA-N
MW206.25 g/mol
LogP-0.11
Rot. Bonds4

About 3-[1-(1-methylpyrazol-4-yl)triazol-4-yl]propan-1-amine

3-[1-(1-methylpyrazol-4-yl)triazol-4-yl]propan-1-amine (PubChem CID 106220596) has the molecular formula C9H14N6 and a molecular weight of 206.25 g/mol. Its IUPAC name is 3-[1-(1-methylpyrazol-4-yl)triazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-(1-methylpyrazol-4-yl)triazol-4-yl]propan-1-amine
PubChem CID106220596
Molecular FormulaC9H14N6
Molecular Weight206.25 g/mol
Exact Mass206.13
IUPAC Name3-[1-(1-methylpyrazol-4-yl)triazol-4-yl]propan-1-amine
SMILESCn1cc(-n2cc(CCCN)nn2)cn1
InChIInChI=1S/C9H14N6/c1-14-7-9(5-11-14)15-6-8(12-13-15)3-2-4-10/h5-7H,2-4,10H2,1H3
InChIKeyABFRFORCJKGXHH-UHFFFAOYSA-N
XLogP-0.11
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-chloroethyl)-1-(1-methylpyrazol-4-yl)triazole
CID 79786354
N-methyl-1-[1-(1-methylpyrazol-4-yl)triazol-4-yl]methanamine
CID 79787053
3-[1-(3-iodo-4-methylphenyl)triazol-4-yl]propan-1-amine
CID 114257945
3-[1-(3-bromophenyl)triazol-4-yl]propan-1-amine
CID 106220469
3-(1-naphthalen-2-yltriazol-4-yl)propan-1-amine
CID 106220432
3-(1-methylpyrazol-4-yl)propan-1-amine
CID 47003365
3-[1-[4-methyl-3-(trifluoromethyl)phenyl]triazol-4-yl]propan-1-amine
CID 106220554
3-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)triazol-4-yl]propan-1-amine
CID 106220486
3-[1-(3-fluoro-4-methoxyphenyl)triazol-4-yl]propan-1-amine
CID 114159959
4-[1-(4-bromo-3-methylphenyl)triazol-4-yl]butan-1-amine
CID 113424666
3-[1-(2-methoxyphenyl)triazol-4-yl]propan-1-amine
CID 84695827
4-[1-(2,3-dihydro-1H-inden-5-yl)triazol-4-yl]butan-1-amine
CID 104538935

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-methylpyrazol-4-yl)triazol-4-yl]propan-1-amine?
The IUPAC name of 3-[1-(1-methylpyrazol-4-yl)triazol-4-yl]propan-1-amine (CID 106220596) is 3-[1-(1-methylpyrazol-4-yl)triazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[1-(1-methylpyrazol-4-yl)triazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[1-(1-methylpyrazol-4-yl)triazol-4-yl]propan-1-amine is Cn1cc(-n2cc(CCCN)nn2)cn1.
What is the InChIKey of 3-[1-(1-methylpyrazol-4-yl)triazol-4-yl]propan-1-amine?
The InChIKey is ABFRFORCJKGXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6/c1-14-7-9(5-11-14)15-6-8(12-13-15)3-2-4-10/h5-7H,2-4,10H2,1H3.
What are the key properties of 3-[1-(1-methylpyrazol-4-yl)triazol-4-yl]propan-1-amine?
3-[1-(1-methylpyrazol-4-yl)triazol-4-yl]propan-1-amine has a molecular weight of 206.25 g/mol, XLogP of -0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-methylpyrazol-4-yl)triazol-4-yl]propan-1-amine is sourced from PubChem (CID 106220596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).