3-[4-[4-(dipropylamino)piperidin-1-yl]-3-fluorophenyl]-1,2-dihydro-1,2,4-triazole-3,5-diamine

C19H32FN7 — CID 143719374

IUPAC3-[4-[4-(dipropylamino)piperidin-1-yl]-3-fluorophenyl]-1,2-dihydro-1,2,4-triazole-3,5-diamine
SMILESCCCN(CCC)C1CCN(c2ccc(C3(N)N=C(N)NN3)cc2F)CC1
InChIInChI=1S/C19H32FN7/c1-3-9-26(10-4-2)15-7-11-27(12-8-15)17-6-5-14(13-16(17)20)19(22)23-18(21)24-25-19/h5-6,13,15,25H,3-4,7-12,22H2,1-2H3,(H3,21,23,24)
InChIKeyYZFSPVVILQIPKM-UHFFFAOYSA-N
MW377.51 g/mol
LogP1.41
Rot. Bonds7

About 3-[4-[4-(dipropylamino)piperidin-1-yl]-3-fluorophenyl]-1,2-dihydro-1,2,4-triazole-3,5-diamine

3-[4-[4-(dipropylamino)piperidin-1-yl]-3-fluorophenyl]-1,2-dihydro-1,2,4-triazole-3,5-diamine (PubChem CID 143719374) has the molecular formula C19H32FN7 and a molecular weight of 377.51 g/mol. Its IUPAC name is 3-[4-[4-(dipropylamino)piperidin-1-yl]-3-fluorophenyl]-1,2-dihydro-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-[4-[4-(dipropylamino)piperidin-1-yl]-3-fluorophenyl]-1,2-dihydro-1,2,4-triazole-3,5-diamine
PubChem CID143719374
Molecular FormulaC19H32FN7
Molecular Weight377.51 g/mol
Exact Mass377.27
IUPAC Name3-[4-[4-(dipropylamino)piperidin-1-yl]-3-fluorophenyl]-1,2-dihydro-1,2,4-triazole-3,5-diamine
SMILESCCCN(CCC)C1CCN(c2ccc(C3(N)N=C(N)NN3)cc2F)CC1
InChIInChI=1S/C19H32FN7/c1-3-9-26(10-4-2)15-7-11-27(12-8-15)17-6-5-14(13-16(17)20)19(22)23-18(21)24-25-19/h5-6,13,15,25H,3-4,7-12,22H2,1-2H3,(H3,21,23,24)
InChIKeyYZFSPVVILQIPKM-UHFFFAOYSA-N
XLogP1.41
TPSA94.94 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 51.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(dipropylamino)piperidin-1-yl]-3-fluorophenyl]-1,2-dihydro-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-[4-[4-(dipropylamino)piperidin-1-yl]-3-fluorophenyl]-1,2-dihydro-1,2,4-triazole-3,5-diamine (CID 143719374) is 3-[4-[4-(dipropylamino)piperidin-1-yl]-3-fluorophenyl]-1,2-dihydro-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-[4-[4-(dipropylamino)piperidin-1-yl]-3-fluorophenyl]-1,2-dihydro-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-[4-[4-(dipropylamino)piperidin-1-yl]-3-fluorophenyl]-1,2-dihydro-1,2,4-triazole-3,5-diamine is CCCN(CCC)C1CCN(c2ccc(C3(N)N=C(N)NN3)cc2F)CC1.
What is the InChIKey of 3-[4-[4-(dipropylamino)piperidin-1-yl]-3-fluorophenyl]-1,2-dihydro-1,2,4-triazole-3,5-diamine?
The InChIKey is YZFSPVVILQIPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32FN7/c1-3-9-26(10-4-2)15-7-11-27(12-8-15)17-6-5-14(13-16(17)20)19(22)23-18(21)24-25-19/h5-6,13,15,25H,3-4,7-12,22H2,1-2H3,(H3,21,23,24).
What are the key properties of 3-[4-[4-(dipropylamino)piperidin-1-yl]-3-fluorophenyl]-1,2-dihydro-1,2,4-triazole-3,5-diamine?
3-[4-[4-(dipropylamino)piperidin-1-yl]-3-fluorophenyl]-1,2-dihydro-1,2,4-triazole-3,5-diamine has a molecular weight of 377.51 g/mol, XLogP of 1.41, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(dipropylamino)piperidin-1-yl]-3-fluorophenyl]-1,2-dihydro-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 143719374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).