5-N-[[1-[1-(5-chloro-1H-pyrazol-4-yl)ethyl]pyrrolidin-2-yl]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine

C18H21ClN10O — CID 69431050

IUPAC5-N-[[1-[1-(5-chloro-1H-pyrazol-4-yl)ethyl]pyrrolidin-2-yl]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
SMILESCC(c1cn[nH]c1Cl)N1CCCC1CNc1nc(N)n2nc(-c3ccco3)nc2n1
InChIInChI=1S/C18H21ClN10O/c1-10(12-9-22-26-14(12)19)28-6-2-4-11(28)8-21-17-24-16(20)29-18(25-17)23-15(27-29)13-5-3-7-30-13/h3,5,7,9-11H,2,4,6,8H2,1H3,(H,22,26)(H3,20,21,23,24,25,27)
InChIKeyMZHAHSAYIZLGMX-UHFFFAOYSA-N
MW428.89 g/mol
LogP2.38
Rot. Bonds6

About 5-N-[[1-[1-(5-chloro-1H-pyrazol-4-yl)ethyl]pyrrolidin-2-yl]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine

5-N-[[1-[1-(5-chloro-1H-pyrazol-4-yl)ethyl]pyrrolidin-2-yl]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine (PubChem CID 69431050) has the molecular formula C18H21ClN10O and a molecular weight of 428.89 g/mol. Its IUPAC name is 5-N-[[1-[1-(5-chloro-1H-pyrazol-4-yl)ethyl]pyrrolidin-2-yl]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine.

Molecular Properties

Compound Name5-N-[[1-[1-(5-chloro-1H-pyrazol-4-yl)ethyl]pyrrolidin-2-yl]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
PubChem CID69431050
Molecular FormulaC18H21ClN10O
Molecular Weight428.89 g/mol
Exact Mass428.16
IUPAC Name5-N-[[1-[1-(5-chloro-1H-pyrazol-4-yl)ethyl]pyrrolidin-2-yl]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
SMILESCC(c1cn[nH]c1Cl)N1CCCC1CNc1nc(N)n2nc(-c3ccco3)nc2n1
InChIInChI=1S/C18H21ClN10O/c1-10(12-9-22-26-14(12)19)28-6-2-4-11(28)8-21-17-24-16(20)29-18(25-17)23-15(27-29)13-5-3-7-30-13/h3,5,7,9-11H,2,4,6,8H2,1H3,(H,22,26)(H3,20,21,23,24,25,27)
InChIKeyMZHAHSAYIZLGMX-UHFFFAOYSA-N
XLogP2.38
TPSA139.08 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.89
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 5-N-[[1-[1-(5-chloro-1H-pyrazol-4-yl)ethyl]pyrrolidin-2-yl]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-N-[[1-[1-(5-chloro-1H-pyrazol-4-yl)ethyl]pyrrolidin-2-yl]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine?
The IUPAC name of 5-N-[[1-[1-(5-chloro-1H-pyrazol-4-yl)ethyl]pyrrolidin-2-yl]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine (CID 69431050) is 5-N-[[1-[1-(5-chloro-1H-pyrazol-4-yl)ethyl]pyrrolidin-2-yl]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine.
What is the SMILES notation for 5-N-[[1-[1-(5-chloro-1H-pyrazol-4-yl)ethyl]pyrrolidin-2-yl]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine?
The canonical SMILES for 5-N-[[1-[1-(5-chloro-1H-pyrazol-4-yl)ethyl]pyrrolidin-2-yl]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine is CC(c1cn[nH]c1Cl)N1CCCC1CNc1nc(N)n2nc(-c3ccco3)nc2n1.
What is the InChIKey of 5-N-[[1-[1-(5-chloro-1H-pyrazol-4-yl)ethyl]pyrrolidin-2-yl]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine?
The InChIKey is MZHAHSAYIZLGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN10O/c1-10(12-9-22-26-14(12)19)28-6-2-4-11(28)8-21-17-24-16(20)29-18(25-17)23-15(27-29)13-5-3-7-30-13/h3,5,7,9-11H,2,4,6,8H2,1H3,(H,22,26)(H3,20,21,23,24,25,27).
What are the key properties of 5-N-[[1-[1-(5-chloro-1H-pyrazol-4-yl)ethyl]pyrrolidin-2-yl]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine?
5-N-[[1-[1-(5-chloro-1H-pyrazol-4-yl)ethyl]pyrrolidin-2-yl]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine has a molecular weight of 428.89 g/mol, XLogP of 2.38, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[[1-[1-(5-chloro-1H-pyrazol-4-yl)ethyl]pyrrolidin-2-yl]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine is sourced from PubChem (CID 69431050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).