N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine

C17H26N6S — CID 71928292

IUPACN-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine
SMILESCc1nc(CN2CCC(N(C)Cc3nnc(C4CC4)n3C)C2)cs1
InChIInChI=1S/C17H26N6S/c1-12-18-14(11-24-12)8-23-7-6-15(9-23)21(2)10-16-19-20-17(22(16)3)13-4-5-13/h11,13,15H,4-10H2,1-3H3
InChIKeyLWANMNJGCGIPSN-UHFFFAOYSA-N
MW346.50 g/mol
LogP2.16
Rot. Bonds6

About N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine

N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine (PubChem CID 71928292) has the molecular formula C17H26N6S and a molecular weight of 346.50 g/mol. Its IUPAC name is N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine
PubChem CID71928292
Molecular FormulaC17H26N6S
Molecular Weight346.50 g/mol
Exact Mass346.19
IUPAC NameN-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine
SMILESCc1nc(CN2CCC(N(C)Cc3nnc(C4CC4)n3C)C2)cs1
InChIInChI=1S/C17H26N6S/c1-12-18-14(11-24-12)8-23-7-6-15(9-23)21(2)10-16-19-20-17(22(16)3)13-4-5-13/h11,13,15H,4-10H2,1-3H3
InChIKeyLWANMNJGCGIPSN-UHFFFAOYSA-N
XLogP2.16
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine (CID 71928292) is N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine is Cc1nc(CN2CCC(N(C)Cc3nnc(C4CC4)n3C)C2)cs1.
What is the InChIKey of N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine?
The InChIKey is LWANMNJGCGIPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6S/c1-12-18-14(11-24-12)8-23-7-6-15(9-23)21(2)10-16-19-20-17(22(16)3)13-4-5-13/h11,13,15H,4-10H2,1-3H3.
What are the key properties of N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine?
N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine has a molecular weight of 346.50 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 71928292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).