3-N-[2-[5-[[3-[2-(furan-3-yl)ethyl-methylamino]-1H-1,2,4-triazol-5-yl]amino]furan-3-yl]ethyl]-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine

C19H26N10O2 — CID 138455891

IUPAC3-N-[2-[5-[[3-[2-(furan-3-yl)ethyl-methylamino]-1H-1,2,4-triazol-5-yl]amino]furan-3-yl]ethyl]-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine
SMILESCN(CCc1ccoc1)c1n[nH]c(Nc2cc(CCN(C)c3nnc(N)n3C)co2)n1
InChIInChI=1S/C19H26N10O2/c1-27(7-4-13-6-9-30-11-13)18-22-17(24-25-18)21-15-10-14(12-31-15)5-8-28(2)19-26-23-16(20)29(19)3/h6,9-12H,4-5,7-8H2,1-3H3,(H2,20,23)(H2,21,22,24,25)
InChIKeyNNFFXCVDQKJIMZ-UHFFFAOYSA-N
MW426.49 g/mol
LogP1.80
Rot. Bonds10

About 3-N-[2-[5-[[3-[2-(furan-3-yl)ethyl-methylamino]-1H-1,2,4-triazol-5-yl]amino]furan-3-yl]ethyl]-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine

3-N-[2-[5-[[3-[2-(furan-3-yl)ethyl-methylamino]-1H-1,2,4-triazol-5-yl]amino]furan-3-yl]ethyl]-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine (PubChem CID 138455891) has the molecular formula C19H26N10O2 and a molecular weight of 426.49 g/mol. Its IUPAC name is 3-N-[2-[5-[[3-[2-(furan-3-yl)ethyl-methylamino]-1H-1,2,4-triazol-5-yl]amino]furan-3-yl]ethyl]-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-[2-[5-[[3-[2-(furan-3-yl)ethyl-methylamino]-1H-1,2,4-triazol-5-yl]amino]furan-3-yl]ethyl]-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine
PubChem CID138455891
Molecular FormulaC19H26N10O2
Molecular Weight426.49 g/mol
Exact Mass426.22
IUPAC Name3-N-[2-[5-[[3-[2-(furan-3-yl)ethyl-methylamino]-1H-1,2,4-triazol-5-yl]amino]furan-3-yl]ethyl]-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine
SMILESCN(CCc1ccoc1)c1n[nH]c(Nc2cc(CCN(C)c3nnc(N)n3C)co2)n1
InChIInChI=1S/C19H26N10O2/c1-27(7-4-13-6-9-30-11-13)18-22-17(24-25-18)21-15-10-14(12-31-15)5-8-28(2)19-26-23-16(20)29(19)3/h6,9-12H,4-5,7-8H2,1-3H3,(H2,20,23)(H2,21,22,24,25)
InChIKeyNNFFXCVDQKJIMZ-UHFFFAOYSA-N
XLogP1.80
TPSA143.09 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.49
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 3-N-[2-[5-[[3-[2-(furan-3-yl)ethyl-methylamino]-1H-1,2,4-triazol-5-yl]amino]furan-3-yl]ethyl]-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-N-[2-[5-[[3-[2-(furan-3-yl)ethyl-methylamino]-1H-1,2,4-triazol-5-yl]amino]furan-3-yl]ethyl]-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-[2-[5-[[3-[2-(furan-3-yl)ethyl-methylamino]-1H-1,2,4-triazol-5-yl]amino]furan-3-yl]ethyl]-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine (CID 138455891) is 3-N-[2-[5-[[3-[2-(furan-3-yl)ethyl-methylamino]-1H-1,2,4-triazol-5-yl]amino]furan-3-yl]ethyl]-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-[2-[5-[[3-[2-(furan-3-yl)ethyl-methylamino]-1H-1,2,4-triazol-5-yl]amino]furan-3-yl]ethyl]-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-[2-[5-[[3-[2-(furan-3-yl)ethyl-methylamino]-1H-1,2,4-triazol-5-yl]amino]furan-3-yl]ethyl]-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine is CN(CCc1ccoc1)c1n[nH]c(Nc2cc(CCN(C)c3nnc(N)n3C)co2)n1.
What is the InChIKey of 3-N-[2-[5-[[3-[2-(furan-3-yl)ethyl-methylamino]-1H-1,2,4-triazol-5-yl]amino]furan-3-yl]ethyl]-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine?
The InChIKey is NNFFXCVDQKJIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N10O2/c1-27(7-4-13-6-9-30-11-13)18-22-17(24-25-18)21-15-10-14(12-31-15)5-8-28(2)19-26-23-16(20)29(19)3/h6,9-12H,4-5,7-8H2,1-3H3,(H2,20,23)(H2,21,22,24,25).
What are the key properties of 3-N-[2-[5-[[3-[2-(furan-3-yl)ethyl-methylamino]-1H-1,2,4-triazol-5-yl]amino]furan-3-yl]ethyl]-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine?
3-N-[2-[5-[[3-[2-(furan-3-yl)ethyl-methylamino]-1H-1,2,4-triazol-5-yl]amino]furan-3-yl]ethyl]-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine has a molecular weight of 426.49 g/mol, XLogP of 1.80, 10 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-[5-[[3-[2-(furan-3-yl)ethyl-methylamino]-1H-1,2,4-triazol-5-yl]amino]furan-3-yl]ethyl]-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 138455891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).