6-chloro-2-N,2-N-diethyl-4-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine

C12H18ClN7 — CID 106193353

IUPAC6-chloro-2-N,2-N-diethyl-4-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Cl)nc(NCc2cn[nH]c2C)n1
InChIInChI=1S/C12H18ClN7/c1-4-20(5-2)12-17-10(13)16-11(18-12)14-6-9-7-15-19-8(9)3/h7H,4-6H2,1-3H3,(H,15,19)(H,14,16,17,18)
InChIKeyBSNMGNNLRXMRNG-UHFFFAOYSA-N
MW295.78 g/mol
LogP2.01
Rot. Bonds6

About 6-chloro-2-N,2-N-diethyl-4-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine

6-chloro-2-N,2-N-diethyl-4-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 106193353) has the molecular formula C12H18ClN7 and a molecular weight of 295.78 g/mol. Its IUPAC name is 6-chloro-2-N,2-N-diethyl-4-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,2-N-diethyl-4-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID106193353
Molecular FormulaC12H18ClN7
Molecular Weight295.78 g/mol
Exact Mass295.13
IUPAC Name6-chloro-2-N,2-N-diethyl-4-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Cl)nc(NCc2cn[nH]c2C)n1
InChIInChI=1S/C12H18ClN7/c1-4-20(5-2)12-17-10(13)16-11(18-12)14-6-9-7-15-19-8(9)3/h7H,4-6H2,1-3H3,(H,15,19)(H,14,16,17,18)
InChIKeyBSNMGNNLRXMRNG-UHFFFAOYSA-N
XLogP2.01
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.78
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,2-N-diethyl-4-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,2-N-diethyl-4-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine (CID 106193353) is 6-chloro-2-N,2-N-diethyl-4-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,2-N-diethyl-4-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,2-N-diethyl-4-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(Cl)nc(NCc2cn[nH]c2C)n1.
What is the InChIKey of 6-chloro-2-N,2-N-diethyl-4-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is BSNMGNNLRXMRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN7/c1-4-20(5-2)12-17-10(13)16-11(18-12)14-6-9-7-15-19-8(9)3/h7H,4-6H2,1-3H3,(H,15,19)(H,14,16,17,18).
What are the key properties of 6-chloro-2-N,2-N-diethyl-4-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,2-N-diethyl-4-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 295.78 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,2-N-diethyl-4-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 106193353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).