N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-methylpropan-2-amine

C10H18N4 — CID 78990435

IUPACN-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1nnc2n1CCC2
InChIInChI=1S/C10H18N4/c1-10(2,3)11-7-9-13-12-8-5-4-6-14(8)9/h11H,4-7H2,1-3H3
InChIKeyOZROYWNQSBOGNY-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.11
Rot. Bonds2

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

N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-methylpropan-2-amine (PubChem CID 78990435) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-methylpropan-2-amine
PubChem CID78990435
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC NameN-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1nnc2n1CCC2
InChIInChI=1S/C10H18N4/c1-10(2,3)11-7-9-13-12-8-5-4-6-14(8)9/h11H,4-7H2,1-3H3
InChIKeyOZROYWNQSBOGNY-UHFFFAOYSA-N
XLogP1.11
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-methylpropan-2-amine?
The IUPAC name of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-methylpropan-2-amine (CID 78990435) is N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-methylpropan-2-amine.
What is the SMILES notation for N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-methylpropan-2-amine?
The canonical SMILES for N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-methylpropan-2-amine is CC(C)(C)NCc1nnc2n1CCC2.
What is the InChIKey of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-methylpropan-2-amine?
The InChIKey is OZROYWNQSBOGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-10(2,3)11-7-9-13-12-8-5-4-6-14(8)9/h11H,4-7H2,1-3H3.
What are the key properties of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-methylpropan-2-amine?
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-methylpropan-2-amine has a molecular weight of 194.28 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-methylpropan-2-amine is sourced from PubChem (CID 78990435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).