1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-methylbutan-1-amine

C10H18N4 — CID 43142793

IUPAC1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-methylbutan-1-amine
SMILESCCC(C)C(N)c1nnc2n1CCC2
InChIInChI=1S/C10H18N4/c1-3-7(2)9(11)10-13-12-8-5-4-6-14(8)10/h7,9H,3-6,11H2,1-2H3
InChIKeyCGTZYFXVPZIGRW-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.27
Rot. Bonds3

About 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-methylbutan-1-amine

1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-methylbutan-1-amine (PubChem CID 43142793) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-methylbutan-1-amine
PubChem CID43142793
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-methylbutan-1-amine
SMILESCCC(C)C(N)c1nnc2n1CCC2
InChIInChI=1S/C10H18N4/c1-3-7(2)9(11)10-13-12-8-5-4-6-14(8)10/h7,9H,3-6,11H2,1-2H3
InChIKeyCGTZYFXVPZIGRW-UHFFFAOYSA-N
XLogP1.27
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 70716296
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CID 70763733
CID 70763733
CID 70782280
CID 70782280
CID 70786737
CID 70786737
CID 72020819
CID 72020819
CID 16227402
CID 16227402
CID 16227920
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CID 50988054
CID 50988054

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-methylbutan-1-amine?
The IUPAC name of 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-methylbutan-1-amine (CID 43142793) is 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-methylbutan-1-amine.
What is the SMILES notation for 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-methylbutan-1-amine?
The canonical SMILES for 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-methylbutan-1-amine is CCC(C)C(N)c1nnc2n1CCC2.
What is the InChIKey of 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-methylbutan-1-amine?
The InChIKey is CGTZYFXVPZIGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-3-7(2)9(11)10-13-12-8-5-4-6-14(8)10/h7,9H,3-6,11H2,1-2H3.
What are the key properties of 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-methylbutan-1-amine?
1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-methylbutan-1-amine has a molecular weight of 194.28 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-methylbutan-1-amine is sourced from PubChem (CID 43142793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).