1-N,3-N,5-N-trimethyl-4-[(3S)-3-(methylamino)-2,3-dihydro-1H-inden-5-yl]pyrazole-1,3,5-triamine

C16H24N6 — CID 174610419

IUPAC1-N,3-N,5-N-trimethyl-4-[(3S)-3-(methylamino)-2,3-dihydro-1H-inden-5-yl]pyrazole-1,3,5-triamine
SMILESCNc1nn(NC)c(NC)c1-c1ccc2c(c1)[C@@H](NC)CC2
InChIInChI=1S/C16H24N6/c1-17-13-8-7-10-5-6-11(9-12(10)13)14-15(18-2)21-22(20-4)16(14)19-3/h5-6,9,13,17,19-20H,7-8H2,1-4H3,(H,18,21)/t13-/m0/s1
InChIKeyBURKKJLNCJCYNU-ZDUSSCGKSA-N
MW300.41 g/mol
LogP2.01
Rot. Bonds5

About 1-N,3-N,5-N-trimethyl-4-[(3S)-3-(methylamino)-2,3-dihydro-1H-inden-5-yl]pyrazole-1,3,5-triamine

1-N,3-N,5-N-trimethyl-4-[(3S)-3-(methylamino)-2,3-dihydro-1H-inden-5-yl]pyrazole-1,3,5-triamine (PubChem CID 174610419) has the molecular formula C16H24N6 and a molecular weight of 300.41 g/mol. Its IUPAC name is 1-N,3-N,5-N-trimethyl-4-[(3S)-3-(methylamino)-2,3-dihydro-1H-inden-5-yl]pyrazole-1,3,5-triamine.

Molecular Properties

Compound Name1-N,3-N,5-N-trimethyl-4-[(3S)-3-(methylamino)-2,3-dihydro-1H-inden-5-yl]pyrazole-1,3,5-triamine
PubChem CID174610419
Molecular FormulaC16H24N6
Molecular Weight300.41 g/mol
Exact Mass300.21
IUPAC Name1-N,3-N,5-N-trimethyl-4-[(3S)-3-(methylamino)-2,3-dihydro-1H-inden-5-yl]pyrazole-1,3,5-triamine
SMILESCNc1nn(NC)c(NC)c1-c1ccc2c(c1)[C@@H](NC)CC2
InChIInChI=1S/C16H24N6/c1-17-13-8-7-10-5-6-11(9-12(10)13)14-15(18-2)21-22(20-4)16(14)19-3/h5-6,9,13,17,19-20H,7-8H2,1-4H3,(H,18,21)/t13-/m0/s1
InChIKeyBURKKJLNCJCYNU-ZDUSSCGKSA-N
XLogP2.01
TPSA65.94 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-N,3-N,5-N-trimethyl-4-[(3S)-3-(methylamino)-2,3-dihydro-1H-inden-5-yl]pyrazole-1,3,5-triamine?
The IUPAC name of 1-N,3-N,5-N-trimethyl-4-[(3S)-3-(methylamino)-2,3-dihydro-1H-inden-5-yl]pyrazole-1,3,5-triamine (CID 174610419) is 1-N,3-N,5-N-trimethyl-4-[(3S)-3-(methylamino)-2,3-dihydro-1H-inden-5-yl]pyrazole-1,3,5-triamine.
What is the SMILES notation for 1-N,3-N,5-N-trimethyl-4-[(3S)-3-(methylamino)-2,3-dihydro-1H-inden-5-yl]pyrazole-1,3,5-triamine?
The canonical SMILES for 1-N,3-N,5-N-trimethyl-4-[(3S)-3-(methylamino)-2,3-dihydro-1H-inden-5-yl]pyrazole-1,3,5-triamine is CNc1nn(NC)c(NC)c1-c1ccc2c(c1)[C@@H](NC)CC2.
What is the InChIKey of 1-N,3-N,5-N-trimethyl-4-[(3S)-3-(methylamino)-2,3-dihydro-1H-inden-5-yl]pyrazole-1,3,5-triamine?
The InChIKey is BURKKJLNCJCYNU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N6/c1-17-13-8-7-10-5-6-11(9-12(10)13)14-15(18-2)21-22(20-4)16(14)19-3/h5-6,9,13,17,19-20H,7-8H2,1-4H3,(H,18,21)/t13-/m0/s1.
What are the key properties of 1-N,3-N,5-N-trimethyl-4-[(3S)-3-(methylamino)-2,3-dihydro-1H-inden-5-yl]pyrazole-1,3,5-triamine?
1-N,3-N,5-N-trimethyl-4-[(3S)-3-(methylamino)-2,3-dihydro-1H-inden-5-yl]pyrazole-1,3,5-triamine has a molecular weight of 300.41 g/mol, XLogP of 2.01, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N,5-N-trimethyl-4-[(3S)-3-(methylamino)-2,3-dihydro-1H-inden-5-yl]pyrazole-1,3,5-triamine is sourced from PubChem (CID 174610419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).