3,6-dichloro-N-(cyclopropylmethyl)-N-propan-2-yl-1,2,4-triazin-5-amine

C10H14Cl2N4 — CID 81037611

IUPAC3,6-dichloro-N-(cyclopropylmethyl)-N-propan-2-yl-1,2,4-triazin-5-amine
SMILESCC(C)N(CC1CC1)c1nc(Cl)nnc1Cl
InChIInChI=1S/C10H14Cl2N4/c1-6(2)16(5-7-3-4-7)9-8(11)14-15-10(12)13-9/h6-7H,3-5H2,1-2H3
InChIKeyUOSKBFAGZVKTBD-UHFFFAOYSA-N
MW261.16 g/mol
LogP2.80
Rot. Bonds4

About 3,6-dichloro-N-(cyclopropylmethyl)-N-propan-2-yl-1,2,4-triazin-5-amine

3,6-dichloro-N-(cyclopropylmethyl)-N-propan-2-yl-1,2,4-triazin-5-amine (PubChem CID 81037611) has the molecular formula C10H14Cl2N4 and a molecular weight of 261.16 g/mol. Its IUPAC name is 3,6-dichloro-N-(cyclopropylmethyl)-N-propan-2-yl-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3,6-dichloro-N-(cyclopropylmethyl)-N-propan-2-yl-1,2,4-triazin-5-amine
PubChem CID81037611
Molecular FormulaC10H14Cl2N4
Molecular Weight261.16 g/mol
Exact Mass260.06
IUPAC Name3,6-dichloro-N-(cyclopropylmethyl)-N-propan-2-yl-1,2,4-triazin-5-amine
SMILESCC(C)N(CC1CC1)c1nc(Cl)nnc1Cl
InChIInChI=1S/C10H14Cl2N4/c1-6(2)16(5-7-3-4-7)9-8(11)14-15-10(12)13-9/h6-7H,3-5H2,1-2H3
InChIKeyUOSKBFAGZVKTBD-UHFFFAOYSA-N
XLogP2.80
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.16
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(cyclopropylmethyl)-N-propan-2-yl-1,2,4-triazin-5-amine?
The IUPAC name of 3,6-dichloro-N-(cyclopropylmethyl)-N-propan-2-yl-1,2,4-triazin-5-amine (CID 81037611) is 3,6-dichloro-N-(cyclopropylmethyl)-N-propan-2-yl-1,2,4-triazin-5-amine.
What is the SMILES notation for 3,6-dichloro-N-(cyclopropylmethyl)-N-propan-2-yl-1,2,4-triazin-5-amine?
The canonical SMILES for 3,6-dichloro-N-(cyclopropylmethyl)-N-propan-2-yl-1,2,4-triazin-5-amine is CC(C)N(CC1CC1)c1nc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloro-N-(cyclopropylmethyl)-N-propan-2-yl-1,2,4-triazin-5-amine?
The InChIKey is UOSKBFAGZVKTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N4/c1-6(2)16(5-7-3-4-7)9-8(11)14-15-10(12)13-9/h6-7H,3-5H2,1-2H3.
What are the key properties of 3,6-dichloro-N-(cyclopropylmethyl)-N-propan-2-yl-1,2,4-triazin-5-amine?
3,6-dichloro-N-(cyclopropylmethyl)-N-propan-2-yl-1,2,4-triazin-5-amine has a molecular weight of 261.16 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(cyclopropylmethyl)-N-propan-2-yl-1,2,4-triazin-5-amine is sourced from PubChem (CID 81037611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).