3-methyl-4-propan-2-yl-5-pyrrolidin-3-yl-1,2,4-triazole

C10H18N4 — CID 63032885

IUPAC3-methyl-4-propan-2-yl-5-pyrrolidin-3-yl-1,2,4-triazole
SMILESCc1nnc(C2CCNC2)n1C(C)C
InChIInChI=1S/C10H18N4/c1-7(2)14-8(3)12-13-10(14)9-4-5-11-6-9/h7,9,11H,4-6H2,1-3H3
InChIKeyVBSHQVXPRNFNTK-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.24
Rot. Bonds2

About 3-methyl-4-propan-2-yl-5-pyrrolidin-3-yl-1,2,4-triazole

3-methyl-4-propan-2-yl-5-pyrrolidin-3-yl-1,2,4-triazole (PubChem CID 63032885) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-methyl-4-propan-2-yl-5-pyrrolidin-3-yl-1,2,4-triazole.

Molecular Properties

Compound Name3-methyl-4-propan-2-yl-5-pyrrolidin-3-yl-1,2,4-triazole
PubChem CID63032885
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name3-methyl-4-propan-2-yl-5-pyrrolidin-3-yl-1,2,4-triazole
SMILESCc1nnc(C2CCNC2)n1C(C)C
InChIInChI=1S/C10H18N4/c1-7(2)14-8(3)12-13-10(14)9-4-5-11-6-9/h7,9,11H,4-6H2,1-3H3
InChIKeyVBSHQVXPRNFNTK-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-1-propan-2-yl-2-pyrrolidin-3-ylimidazole;dihydrochloride
CID 146065252
5,7-dimethyl-3-pyrrolidin-3-yl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 79817922
4-methyl-3-[(3R)-pyrrolidin-3-yl]-1,2,4-triazole
CID 94917936
4-methyl-3-[(3S)-pyrrolidin-3-yl]-1,2,4-triazole
CID 94917937
2-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid
CID 61376468
5-methyl-3-pyrrolidin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117149794
3-pyrrolidin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 81057789
2-propan-2-yl-5-pyrrolidin-3-yl-4H-1,2,4-triazol-3-one
CID 136982040
4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)oxolan-3-amine
CID 66240501
4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
CID 50988293
4-methyl-5-nitro-2-[(5-piperidin-3-yl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyridine
CID 133339826
4-[(5-piperidin-4-yl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-ylpyrimidine
CID 122137243

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-propan-2-yl-5-pyrrolidin-3-yl-1,2,4-triazole?
The IUPAC name of 3-methyl-4-propan-2-yl-5-pyrrolidin-3-yl-1,2,4-triazole (CID 63032885) is 3-methyl-4-propan-2-yl-5-pyrrolidin-3-yl-1,2,4-triazole.
What is the SMILES notation for 3-methyl-4-propan-2-yl-5-pyrrolidin-3-yl-1,2,4-triazole?
The canonical SMILES for 3-methyl-4-propan-2-yl-5-pyrrolidin-3-yl-1,2,4-triazole is Cc1nnc(C2CCNC2)n1C(C)C.
What is the InChIKey of 3-methyl-4-propan-2-yl-5-pyrrolidin-3-yl-1,2,4-triazole?
The InChIKey is VBSHQVXPRNFNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-7(2)14-8(3)12-13-10(14)9-4-5-11-6-9/h7,9,11H,4-6H2,1-3H3.
What are the key properties of 3-methyl-4-propan-2-yl-5-pyrrolidin-3-yl-1,2,4-triazole?
3-methyl-4-propan-2-yl-5-pyrrolidin-3-yl-1,2,4-triazole has a molecular weight of 194.28 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-propan-2-yl-5-pyrrolidin-3-yl-1,2,4-triazole is sourced from PubChem (CID 63032885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).