5-(2-methylpyrrolidin-2-yl)-1-propan-2-yl-1,2,4-triazole

C10H18N4 — CID 126978967

IUPAC5-(2-methylpyrrolidin-2-yl)-1-propan-2-yl-1,2,4-triazole
SMILESCC(C)n1ncnc1C1(C)CCCN1
InChIInChI=1S/C10H18N4/c1-8(2)14-9(11-7-13-14)10(3)5-4-6-12-10/h7-8,12H,4-6H2,1-3H3
InChIKeyNFWCTFMHHZDHRN-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.46
Rot. Bonds2

About 5-(2-methylpyrrolidin-2-yl)-1-propan-2-yl-1,2,4-triazole

5-(2-methylpyrrolidin-2-yl)-1-propan-2-yl-1,2,4-triazole (PubChem CID 126978967) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 5-(2-methylpyrrolidin-2-yl)-1-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name5-(2-methylpyrrolidin-2-yl)-1-propan-2-yl-1,2,4-triazole
PubChem CID126978967
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name5-(2-methylpyrrolidin-2-yl)-1-propan-2-yl-1,2,4-triazole
SMILESCC(C)n1ncnc1C1(C)CCCN1
InChIInChI=1S/C10H18N4/c1-8(2)14-9(11-7-13-14)10(3)5-4-6-12-10/h7-8,12H,4-6H2,1-3H3
InChIKeyNFWCTFMHHZDHRN-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpyrrolidin-2-yl)-1-propan-2-yl-1,2,4-triazole?
The IUPAC name of 5-(2-methylpyrrolidin-2-yl)-1-propan-2-yl-1,2,4-triazole (CID 126978967) is 5-(2-methylpyrrolidin-2-yl)-1-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 5-(2-methylpyrrolidin-2-yl)-1-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 5-(2-methylpyrrolidin-2-yl)-1-propan-2-yl-1,2,4-triazole is CC(C)n1ncnc1C1(C)CCCN1.
What is the InChIKey of 5-(2-methylpyrrolidin-2-yl)-1-propan-2-yl-1,2,4-triazole?
The InChIKey is NFWCTFMHHZDHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-8(2)14-9(11-7-13-14)10(3)5-4-6-12-10/h7-8,12H,4-6H2,1-3H3.
What are the key properties of 5-(2-methylpyrrolidin-2-yl)-1-propan-2-yl-1,2,4-triazole?
5-(2-methylpyrrolidin-2-yl)-1-propan-2-yl-1,2,4-triazole has a molecular weight of 194.28 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpyrrolidin-2-yl)-1-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 126978967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).